Benzenoids
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1,3-Bis(trifluoromethyl)benzene 98.0+%, TCI America™
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CAS: 402-31-3 Molecular Formula: C8H4F6 Molecular Weight (g/mol): 214.11 MDL Number: MFCD00000392 InChI Key: SJBBXFLOLUTGCW-UHFFFAOYSA-N Synonym: 1,3-bis trifluoromethyl benzene,benzene, 1,3-bis trifluoromethyl,1,3-di trifluoromethyl benzene,1,3-bis trifluoromethyl-benzene,m-bis trifluoromethyl benzene,m-ditrifluoromethylbenzene,hexafluoro-m-xylene,alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-m-xylene,mtf-tfm,a,a,a,a',a',a'-hexafluoro-m-xylene PubChem CID: 223106 IUPAC Name: 1,3-bis(trifluoromethyl)benzene SMILES: C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
| PubChem CID | 223106 |
|---|---|
| CAS | 402-31-3 |
| Molecular Weight (g/mol) | 214.11 |
| MDL Number | MFCD00000392 |
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F |
| Synonym | 1,3-bis trifluoromethyl benzene,benzene, 1,3-bis trifluoromethyl,1,3-di trifluoromethyl benzene,1,3-bis trifluoromethyl-benzene,m-bis trifluoromethyl benzene,m-ditrifluoromethylbenzene,hexafluoro-m-xylene,alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-m-xylene,mtf-tfm,a,a,a,a',a',a'-hexafluoro-m-xylene |
| IUPAC Name | 1,3-bis(trifluoromethyl)benzene |
| InChI Key | SJBBXFLOLUTGCW-UHFFFAOYSA-N |
| Molecular Formula | C8H4F6 |
Fluconazole 98.0+%, TCI America™
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CAS: 86386-73-4 Molecular Formula: C13H12F2N6O Molecular Weight (g/mol): 306.277 InChI Key: RFHAOTPXVQNOHP-UHFFFAOYSA-N Synonym: fluconazole,diflucan,triflucan,elazor,biozolene,biocanol,fungata,fluconazol,fluconazolum,flucazol PubChem CID: 3365 ChEBI: CHEBI:46081 IUPAC Name: 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol SMILES: C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O
| PubChem CID | 3365 |
|---|---|
| CAS | 86386-73-4 |
| Molecular Weight (g/mol) | 306.277 |
| ChEBI | CHEBI:46081 |
| SMILES | C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O |
| Synonym | fluconazole,diflucan,triflucan,elazor,biozolene,biocanol,fungata,fluconazol,fluconazolum,flucazol |
| IUPAC Name | 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol |
| InChI Key | RFHAOTPXVQNOHP-UHFFFAOYSA-N |
| Molecular Formula | C13H12F2N6O |
4-Methoxyphenol 99.0+%, TCI America™
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CAS: 150-76-5 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.14 MDL Number: MFCD00002332 InChI Key: NWVVVBRKAWDGAB-UHFFFAOYSA-N Synonym: mequinol,4-hydroxyanisole,p-hydroxyanisole,p-methoxyphenol,hydroquinone monomethyl ether,phenol, 4-methoxy,leucobasal,mehq,leucodine b,mechinolum PubChem CID: 9015 ChEBI: CHEBI:69441 IUPAC Name: 4-methoxyphenol SMILES: COC1=CC=C(O)C=C1
| PubChem CID | 9015 |
|---|---|
| CAS | 150-76-5 |
| Molecular Weight (g/mol) | 124.14 |
| ChEBI | CHEBI:69441 |
| MDL Number | MFCD00002332 |
| SMILES | COC1=CC=C(O)C=C1 |
| Synonym | mequinol,4-hydroxyanisole,p-hydroxyanisole,p-methoxyphenol,hydroquinone monomethyl ether,phenol, 4-methoxy,leucobasal,mehq,leucodine b,mechinolum |
| IUPAC Name | 4-methoxyphenol |
| InChI Key | NWVVVBRKAWDGAB-UHFFFAOYSA-N |
| Molecular Formula | C7H8O2 |
3-Nitrophenylhydrazine Hydrochloride 98.0+%, TCI America™
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CAS: 636-95-3 Molecular Formula: C6H8ClN3O2 Molecular Weight (g/mol): 189.599 MDL Number: MFCD00012939 InChI Key: BKOYKMLGFFASBG-UHFFFAOYSA-N Synonym: 3-nitrophenylhydrazine hydrochloride,3-nitrophenyl hydrazine hydrochloride,3-nitrophenylhydrazinium 1+ chloride,hydrazine, 3-nitrophenyl-, monohydrochloride,m-nitrophenylhydrazine hydrochloride,pubchem20000,acmc-1b1e3,ksc491e2l,m-nitrophenylhydrazine hcl PubChem CID: 5464285 IUPAC Name: (3-nitrophenyl)hydrazine;hydrochloride SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])NN.Cl
| PubChem CID | 5464285 |
|---|---|
| CAS | 636-95-3 |
| Molecular Weight (g/mol) | 189.599 |
| MDL Number | MFCD00012939 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])NN.Cl |
| Synonym | 3-nitrophenylhydrazine hydrochloride,3-nitrophenyl hydrazine hydrochloride,3-nitrophenylhydrazinium 1+ chloride,hydrazine, 3-nitrophenyl-, monohydrochloride,m-nitrophenylhydrazine hydrochloride,pubchem20000,acmc-1b1e3,ksc491e2l,m-nitrophenylhydrazine hcl |
| IUPAC Name | (3-nitrophenyl)hydrazine;hydrochloride |
| InChI Key | BKOYKMLGFFASBG-UHFFFAOYSA-N |
| Molecular Formula | C6H8ClN3O2 |
3,5-Dinitrosalicylic Acid 98.0+%, TCI America™
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CAS: 609-99-4 Molecular Formula: C7H4N2O7 Molecular Weight (g/mol): 228.116 MDL Number: MFCD00007104 InChI Key: LWFUFLREGJMOIZ-UHFFFAOYSA-N Synonym: 3,5-dinitrosalicylic acid,2-hydroxy-3,5-dinitrobenzoic acid,3,5-dinitro-2-hydroxybenzoic acid,3,5-dinitrosalicylate,benzoic acid, 2-hydroxy-3,5-dinitro,salicylic acid, 3,5-dinitro,dnsa,o-dncp,o-dinitrocarboxylphenol,3,5-dinitro-2-salicylic acid PubChem CID: 11873 ChEBI: CHEBI:53648 SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)C(=O)O)[N+](=O)[O-]
| PubChem CID | 11873 |
|---|---|
| CAS | 609-99-4 |
| Molecular Weight (g/mol) | 228.116 |
| ChEBI | CHEBI:53648 |
| MDL Number | MFCD00007104 |
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])O)C(=O)O)[N+](=O)[O-] |
| Synonym | 3,5-dinitrosalicylic acid,2-hydroxy-3,5-dinitrobenzoic acid,3,5-dinitro-2-hydroxybenzoic acid,3,5-dinitrosalicylate,benzoic acid, 2-hydroxy-3,5-dinitro,salicylic acid, 3,5-dinitro,dnsa,o-dncp,o-dinitrocarboxylphenol,3,5-dinitro-2-salicylic acid |
| InChI Key | LWFUFLREGJMOIZ-UHFFFAOYSA-N |
| Molecular Formula | C7H4N2O7 |
m-Anisaldehyde 98.0+%, TCI America™
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CAS: 591-31-1 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00003361 InChI Key: WMPDAIZRQDCGFH-UHFFFAOYSA-N Synonym: m-anisaldehyde,3-anisaldehyde,benzaldehyde, 3-methoxy,m-methoxybenzaldehyde,metamethoxybenzaldehyde,3-methoxy-benzaldehyde,unii-8zao7s0ivh,ccris 960,meta-anisaldehyde,8zao7s0ivh PubChem CID: 11569 IUPAC Name: 3-methoxybenzaldehyde SMILES: COC1=CC=CC(=C1)C=O
| PubChem CID | 11569 |
|---|---|
| CAS | 591-31-1 |
| Molecular Weight (g/mol) | 136.15 |
| MDL Number | MFCD00003361 |
| SMILES | COC1=CC=CC(=C1)C=O |
| Synonym | m-anisaldehyde,3-anisaldehyde,benzaldehyde, 3-methoxy,m-methoxybenzaldehyde,metamethoxybenzaldehyde,3-methoxy-benzaldehyde,unii-8zao7s0ivh,ccris 960,meta-anisaldehyde,8zao7s0ivh |
| IUPAC Name | 3-methoxybenzaldehyde |
| InChI Key | WMPDAIZRQDCGFH-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
Tolylene-2,4-diisocyanate 98.0+%, TCI America™
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CAS: 584-84-9 Molecular Formula: C9H6N2O2 Molecular Weight (g/mol): 174.159 MDL Number: MFCD00002011 InChI Key: DVKJHBMWWAPEIU-UHFFFAOYSA-N Synonym: 2,4-toluene diisocyanate,2,4-diisocyanatotoluene,tolylene-2,4-diisocyanate,toluene-2,4-diisocyanate,2,4-tolylene diisocyanate,toluene 2,4-diisocyanate,4-methyl-m-phenylene diisocyanate,tolylene diisocyanate,2,4-tdi,toluylene-2,4-diisocyanate PubChem CID: 11443 ChEBI: CHEBI:53556 IUPAC Name: 2,4-diisocyanato-1-methylbenzene SMILES: CC1=C(C=C(C=C1)N=C=O)N=C=O
| PubChem CID | 11443 |
|---|---|
| CAS | 584-84-9 |
| Molecular Weight (g/mol) | 174.159 |
| ChEBI | CHEBI:53556 |
| MDL Number | MFCD00002011 |
| SMILES | CC1=C(C=C(C=C1)N=C=O)N=C=O |
| Synonym | 2,4-toluene diisocyanate,2,4-diisocyanatotoluene,tolylene-2,4-diisocyanate,toluene-2,4-diisocyanate,2,4-tolylene diisocyanate,toluene 2,4-diisocyanate,4-methyl-m-phenylene diisocyanate,tolylene diisocyanate,2,4-tdi,toluylene-2,4-diisocyanate |
| IUPAC Name | 2,4-diisocyanato-1-methylbenzene |
| InChI Key | DVKJHBMWWAPEIU-UHFFFAOYSA-N |
| Molecular Formula | C9H6N2O2 |
5-Nitroguaiacol 98.0+%, TCI America™
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CAS: 636-93-1 Molecular Formula: C7H7NO4 Molecular Weight (g/mol): 169.136 MDL Number: MFCD00015561 InChI Key: KXKCTSZYNCDFFG-UHFFFAOYSA-N Synonym: 5-nitroguaiacol,phenol, 2-methoxy-5-nitro,3-hydroxy-4-methoxynitrobenzene,2-methoxy-5-nitro-phenol,unii-e5t11i2jub,e5t11i2jub,2-hydroxy-4-nitroanisole,acmc-1b3lw,2-methoxy-5-nitro phenol,2-methyloxy-5-nitrophenol PubChem CID: 69471 ChEBI: CHEBI:81049 IUPAC Name: 2-methoxy-5-nitrophenol SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])O
| PubChem CID | 69471 |
|---|---|
| CAS | 636-93-1 |
| Molecular Weight (g/mol) | 169.136 |
| ChEBI | CHEBI:81049 |
| MDL Number | MFCD00015561 |
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])O |
| Synonym | 5-nitroguaiacol,phenol, 2-methoxy-5-nitro,3-hydroxy-4-methoxynitrobenzene,2-methoxy-5-nitro-phenol,unii-e5t11i2jub,e5t11i2jub,2-hydroxy-4-nitroanisole,acmc-1b3lw,2-methoxy-5-nitro phenol,2-methyloxy-5-nitrophenol |
| IUPAC Name | 2-methoxy-5-nitrophenol |
| InChI Key | KXKCTSZYNCDFFG-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO4 |
4-Benzylbiphenyl 99.0+%, TCI America™
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CAS: 613-42-3 Molecular Formula: C19H16 Molecular Weight (g/mol): 244.34 MDL Number: MFCD00041831 InChI Key: AGPLQTQFIZBOLI-UHFFFAOYSA-N Synonym: 4-benzylbiphenyl,4-phenylmethyl-1,1'-biphenyl,1,1'-biphenyl, 4-phenylmethyl,benzylbiphenyl,p-benzylbiphenyl,4-phenyldiphenylmethane,1-phenyl-4-benzylbenzene,1, 4-phenylmethyl,acmc-1bh4u,1-benzyl-4-phenyl-benzene PubChem CID: 69174 IUPAC Name: 4-benzyl-1,1'-biphenyl SMILES: C(C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC=CC=C1
| PubChem CID | 69174 |
|---|---|
| CAS | 613-42-3 |
| Molecular Weight (g/mol) | 244.34 |
| MDL Number | MFCD00041831 |
| SMILES | C(C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC=CC=C1 |
| Synonym | 4-benzylbiphenyl,4-phenylmethyl-1,1'-biphenyl,1,1'-biphenyl, 4-phenylmethyl,benzylbiphenyl,p-benzylbiphenyl,4-phenyldiphenylmethane,1-phenyl-4-benzylbenzene,1, 4-phenylmethyl,acmc-1bh4u,1-benzyl-4-phenyl-benzene |
| IUPAC Name | 4-benzyl-1,1'-biphenyl |
| InChI Key | AGPLQTQFIZBOLI-UHFFFAOYSA-N |
| Molecular Formula | C19H16 |
4-Bromophenol 98.0+%, TCI America™
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CAS: 106-41-2 Molecular Formula: C6H5BrO Molecular Weight (g/mol): 173.009 MDL Number: MFCD00002313 InChI Key: GZFGOTFRPZRKDS-UHFFFAOYSA-N Synonym: p-bromophenol,phenol, 4-bromo,p-bromohydroxybenzene,4-bromo-phenol,p-bromophenic acid,phenol, p-bromo,para-bromophenol,4-bromo phenol,unii-lao4j0183i,ccris 632 PubChem CID: 7808 IUPAC Name: 4-bromophenol SMILES: C1=CC(=CC=C1O)Br
| PubChem CID | 7808 |
|---|---|
| CAS | 106-41-2 |
| Molecular Weight (g/mol) | 173.009 |
| MDL Number | MFCD00002313 |
| SMILES | C1=CC(=CC=C1O)Br |
| Synonym | p-bromophenol,phenol, 4-bromo,p-bromohydroxybenzene,4-bromo-phenol,p-bromophenic acid,phenol, p-bromo,para-bromophenol,4-bromo phenol,unii-lao4j0183i,ccris 632 |
| IUPAC Name | 4-bromophenol |
| InChI Key | GZFGOTFRPZRKDS-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrO |
4-Methoxybenzyl Chloride (stabilized with Amylene) 98.0+%, TCI America™
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CAS: 824-94-2 Molecular Formula: C8H9ClO Molecular Weight (g/mol): 156.609 MDL Number: MFCD00000915 InChI Key: MOHYOXXOKFQHDC-UHFFFAOYSA-N Synonym: 4-methoxybenzyl chloride,4-methoxybenzylchloride,1-chloromethyl-4-methoxybenzene,p-methoxybenzyl chloride,p-anisyl chloride,alpha-chloro-4-methoxytoluene,p-chloromethyl anisole,benzene, 1-chloromethyl-4-methoxy,4-chloromethyl anisole,anisole, p-chloromethyl PubChem CID: 69993 IUPAC Name: 1-(chloromethyl)-4-methoxybenzene SMILES: COC1=CC=C(C=C1)CCl
| PubChem CID | 69993 |
|---|---|
| CAS | 824-94-2 |
| Molecular Weight (g/mol) | 156.609 |
| MDL Number | MFCD00000915 |
| SMILES | COC1=CC=C(C=C1)CCl |
| Synonym | 4-methoxybenzyl chloride,4-methoxybenzylchloride,1-chloromethyl-4-methoxybenzene,p-methoxybenzyl chloride,p-anisyl chloride,alpha-chloro-4-methoxytoluene,p-chloromethyl anisole,benzene, 1-chloromethyl-4-methoxy,4-chloromethyl anisole,anisole, p-chloromethyl |
| IUPAC Name | 1-(chloromethyl)-4-methoxybenzene |
| InChI Key | MOHYOXXOKFQHDC-UHFFFAOYSA-N |
| Molecular Formula | C8H9ClO |
4-Aminophenol Hydrochloride 98.0+%, TCI America™
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CAS: 51-78-5 Molecular Formula: C6H8ClNO Molecular Weight (g/mol): 145.586 MDL Number: MFCD00012996 InChI Key: RVGOBWDGAVAVPJ-UHFFFAOYSA-N Synonym: 4-aminophenol hydrochloride,futramine p,p-aminophenol hydrochloride,4-hydroxyanilinium chloride,fouramine cp,fourrine p,durafur brown r,pelagol cp,peltol p,pelagol grey cp PubChem CID: 5828 IUPAC Name: 4-aminophenol;hydrochloride SMILES: C1=CC(=CC=C1N)O.Cl
| PubChem CID | 5828 |
|---|---|
| CAS | 51-78-5 |
| Molecular Weight (g/mol) | 145.586 |
| MDL Number | MFCD00012996 |
| SMILES | C1=CC(=CC=C1N)O.Cl |
| Synonym | 4-aminophenol hydrochloride,futramine p,p-aminophenol hydrochloride,4-hydroxyanilinium chloride,fouramine cp,fourrine p,durafur brown r,pelagol cp,peltol p,pelagol grey cp |
| IUPAC Name | 4-aminophenol;hydrochloride |
| InChI Key | RVGOBWDGAVAVPJ-UHFFFAOYSA-N |
| Molecular Formula | C6H8ClNO |
(Acetylmethylene)triphenylphosphorane 98.0+%, TCI America™
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CAS: 1439-36-7 Molecular Formula: C21H19OP Molecular Weight (g/mol): 318.36 MDL Number: MFCD00008774 InChI Key: KAANTNXREIRLCT-UHFFFAOYSA-N Synonym: acetylmethylene triphenylphosphorane,1-triphenylphosphoranylidene propan-2-one,1-triphenylphosphoranylidene-2-propanone,1-triphenylphosphoranylidene acetone,2-propanone, 1-triphenylphosphoranylidene,acetonylidenetriphenyl phosphorane,acetylmethylene triphenylphosphine,triphenylacetylmethylene phosphorane,2-propanone, triphenylphosphoranylidene,triphenylphosphoranylidene-2-propanone PubChem CID: 15038 IUPAC Name: 1-(triphenyl-λ⁵-phosphanylidene)propan-2-one SMILES: CC(=O)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 15038 |
|---|---|
| CAS | 1439-36-7 |
| Molecular Weight (g/mol) | 318.36 |
| MDL Number | MFCD00008774 |
| SMILES | CC(=O)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | acetylmethylene triphenylphosphorane,1-triphenylphosphoranylidene propan-2-one,1-triphenylphosphoranylidene-2-propanone,1-triphenylphosphoranylidene acetone,2-propanone, 1-triphenylphosphoranylidene,acetonylidenetriphenyl phosphorane,acetylmethylene triphenylphosphine,triphenylacetylmethylene phosphorane,2-propanone, triphenylphosphoranylidene,triphenylphosphoranylidene-2-propanone |
| IUPAC Name | 1-(triphenyl-λ⁵-phosphanylidene)propan-2-one |
| InChI Key | KAANTNXREIRLCT-UHFFFAOYSA-N |
| Molecular Formula | C21H19OP |
2-Methoxy-4-ethylphenol 98.0+%, TCI America™
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CAS: 2785-89-9 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00038714 InChI Key: CHWNEIVBYREQRF-UHFFFAOYSA-N Synonym: 4-ethylguaiacol,p-ethylguaiacol,2-methoxy-4-ethylphenol,phenol, 4-ethyl-2-methoxy,homocresol,guaiacyl ethane,4-ethyl-2-methoxy-phenol,4-hydroxy-3-methoxy ethylbenzene,unii-c9nfd83bj5,guaiacol, 4-ethyl PubChem CID: 62465 IUPAC Name: 4-ethyl-2-methoxyphenol SMILES: CCC1=CC=C(O)C(OC)=C1
| PubChem CID | 62465 |
|---|---|
| CAS | 2785-89-9 |
| Molecular Weight (g/mol) | 152.19 |
| MDL Number | MFCD00038714 |
| SMILES | CCC1=CC=C(O)C(OC)=C1 |
| Synonym | 4-ethylguaiacol,p-ethylguaiacol,2-methoxy-4-ethylphenol,phenol, 4-ethyl-2-methoxy,homocresol,guaiacyl ethane,4-ethyl-2-methoxy-phenol,4-hydroxy-3-methoxy ethylbenzene,unii-c9nfd83bj5,guaiacol, 4-ethyl |
| IUPAC Name | 4-ethyl-2-methoxyphenol |
| InChI Key | CHWNEIVBYREQRF-UHFFFAOYSA-N |
| Molecular Formula | C9H12O2 |
2-Methoxy-4-methylphenol 98.0+%, TCI America™
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CAS: 93-51-6 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 MDL Number: MFCD00002378 InChI Key: PETRWTHZSKVLRE-UHFFFAOYSA-N Synonym: creosol,4-methylguaiacol,2-methoxy-p-cresol,homoguaiacol,p-methylguaiacol,phenol, 2-methoxy-4-methyl,p-creosol,4-methyl guaiacol,2-methoxy-4-cresol,4-hydroxy-3-methoxytoluene PubChem CID: 7144 IUPAC Name: 2-methoxy-4-methylphenol SMILES: CC1=CC(=C(C=C1)O)OC
| PubChem CID | 7144 |
|---|---|
| CAS | 93-51-6 |
| Molecular Weight (g/mol) | 138.166 |
| MDL Number | MFCD00002378 |
| SMILES | CC1=CC(=C(C=C1)O)OC |
| Synonym | creosol,4-methylguaiacol,2-methoxy-p-cresol,homoguaiacol,p-methylguaiacol,phenol, 2-methoxy-4-methyl,p-creosol,4-methyl guaiacol,2-methoxy-4-cresol,4-hydroxy-3-methoxytoluene |
| IUPAC Name | 2-methoxy-4-methylphenol |
| InChI Key | PETRWTHZSKVLRE-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |