Benzene and substituted derivatives
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2,3,5-Trimethylanisole 97.0+%, TCI America™
CAS: 20469-61-8 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.22 MDL Number: MFCD00142783 InChI Key: AWONIZVBKXHWJP-UHFFFAOYSA-N Synonym: 2,3,5-trimethylanisole,anisole, 2,3,5-trimethyl,benzene, 1-methoxy-2,3,5-trimethyl,1-methoxy-2,3,5-trimethyl-benzene,pubchem2688,acmc-209fam,2,3,5-trimethylanizole,3-methoxy-1,2,5-trimethylbenzene PubChem CID: 88555 IUPAC Name: 1-methoxy-2,3,5-trimethylbenzene SMILES: COC1=CC(C)=CC(C)=C1C
| PubChem CID | 88555 |
|---|---|
| CAS | 20469-61-8 |
| Molecular Weight (g/mol) | 150.22 |
| MDL Number | MFCD00142783 |
| SMILES | COC1=CC(C)=CC(C)=C1C |
| Synonym | 2,3,5-trimethylanisole,anisole, 2,3,5-trimethyl,benzene, 1-methoxy-2,3,5-trimethyl,1-methoxy-2,3,5-trimethyl-benzene,pubchem2688,acmc-209fam,2,3,5-trimethylanizole,3-methoxy-1,2,5-trimethylbenzene |
| IUPAC Name | 1-methoxy-2,3,5-trimethylbenzene |
| InChI Key | AWONIZVBKXHWJP-UHFFFAOYSA-N |
| Molecular Formula | C10H14O |
1-Ethyl-4-[(4-methoxyphenyl)ethynyl]benzene 98.0+%, TCI America™
CAS: 63221-88-5 Molecular Formula: C17H16O Molecular Weight (g/mol): 236.31 MDL Number: MFCD00807428 InChI Key: YWDALJMLXXWXFP-UHFFFAOYSA-N Synonym: 1-ethyl-4-4-methoxyphenyl ethynyl benzene,1-4-ethylphenyl-2-4-methoxyphenyl acetylene,4-4-ethylphenyl ethynyl anisole,1-ethyl-4-2-4-methoxyphenyl ethynyl benzene,benzene,1-ethyl-4-2-4-methoxyphenyl ethynyl,1-2-4-ethylphenyl ethynyl-4-methoxybenzene,4-methoxy-4'-ethyltolane,acmc-209ne1 PubChem CID: 3952083 IUPAC Name: 1-ethyl-4-[2-(4-methoxyphenyl)ethynyl]benzene SMILES: CCC1=CC=C(C=C1)C#CC1=CC=C(OC)C=C1
| PubChem CID | 3952083 |
|---|---|
| CAS | 63221-88-5 |
| Molecular Weight (g/mol) | 236.31 |
| MDL Number | MFCD00807428 |
| SMILES | CCC1=CC=C(C=C1)C#CC1=CC=C(OC)C=C1 |
| Synonym | 1-ethyl-4-4-methoxyphenyl ethynyl benzene,1-4-ethylphenyl-2-4-methoxyphenyl acetylene,4-4-ethylphenyl ethynyl anisole,1-ethyl-4-2-4-methoxyphenyl ethynyl benzene,benzene,1-ethyl-4-2-4-methoxyphenyl ethynyl,1-2-4-ethylphenyl ethynyl-4-methoxybenzene,4-methoxy-4'-ethyltolane,acmc-209ne1 |
| IUPAC Name | 1-ethyl-4-[2-(4-methoxyphenyl)ethynyl]benzene |
| InChI Key | YWDALJMLXXWXFP-UHFFFAOYSA-N |
| Molecular Formula | C17H16O |
4-Hydroxy-4'-methoxybiphenyl 95.0+%, TCI America™
CAS: 16881-71-3 Molecular Formula: C13H12O2 Molecular Weight (g/mol): 200.237 MDL Number: MFCD00191514 InChI Key: CORJIEYQXMZUIW-UHFFFAOYSA-N PubChem CID: 11030839 IUPAC Name: 4-(4-methoxyphenyl)phenol SMILES: COC1=CC=C(C=C1)C2=CC=C(C=C2)O
| PubChem CID | 11030839 |
|---|---|
| CAS | 16881-71-3 |
| Molecular Weight (g/mol) | 200.237 |
| MDL Number | MFCD00191514 |
| SMILES | COC1=CC=C(C=C1)C2=CC=C(C=C2)O |
| IUPAC Name | 4-(4-methoxyphenyl)phenol |
| InChI Key | CORJIEYQXMZUIW-UHFFFAOYSA-N |
| Molecular Formula | C13H12O2 |
3-Bromo-4-methoxybenzonitrile 98.0+%, TCI America™
CAS: 117572-79-9 Molecular Formula: C8H6BrNO Molecular Weight (g/mol): 212.05 MDL Number: MFCD00143097 InChI Key: QHWZMDRKTYTPEE-UHFFFAOYSA-N Synonym: 2-bromo-4-cyanoanisole,3-bromo-4-methoxylbenzonitrile,3-bromo-4-methoxybenzenecarbonitrile,3-bromo-4-methoxy-benzonitrile,benzonitrile, 3-bromo-4-methoxy,pubchem3795,acmc-1cexj,maybridge4_001971,3-bromo4-methoxybenzonitrile,ksc494m8l PubChem CID: 736049 IUPAC Name: 3-bromo-4-methoxybenzonitrile SMILES: COC1=CC=C(C=C1Br)C#N
| PubChem CID | 736049 |
|---|---|
| CAS | 117572-79-9 |
| Molecular Weight (g/mol) | 212.05 |
| MDL Number | MFCD00143097 |
| SMILES | COC1=CC=C(C=C1Br)C#N |
| Synonym | 2-bromo-4-cyanoanisole,3-bromo-4-methoxylbenzonitrile,3-bromo-4-methoxybenzenecarbonitrile,3-bromo-4-methoxy-benzonitrile,benzonitrile, 3-bromo-4-methoxy,pubchem3795,acmc-1cexj,maybridge4_001971,3-bromo4-methoxybenzonitrile,ksc494m8l |
| IUPAC Name | 3-bromo-4-methoxybenzonitrile |
| InChI Key | QHWZMDRKTYTPEE-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrNO |
2,6-Difluoroanisole 97.0+%, TCI America™
CAS: 437-82-1 Molecular Formula: C7H6F2O Molecular Weight (g/mol): 144.121 InChI Key: IOBWAHRFIPQEQL-UHFFFAOYSA-N Synonym: 2,6-difluoroanisole,1,3-difluoro-2-methoxy-benzene,benzene, 1,3-difluoro-2-methoxy,pubchem1968,2,6-difluoro anisole,2.6-difluoro anisole,acmc-1ajjj,ksc235o3h,iobwahrfipqeql-uhfffaoysa PubChem CID: 2736897 IUPAC Name: 1,3-difluoro-2-methoxybenzene SMILES: COC1=C(C=CC=C1F)F
| PubChem CID | 2736897 |
|---|---|
| CAS | 437-82-1 |
| Molecular Weight (g/mol) | 144.121 |
| SMILES | COC1=C(C=CC=C1F)F |
| Synonym | 2,6-difluoroanisole,1,3-difluoro-2-methoxy-benzene,benzene, 1,3-difluoro-2-methoxy,pubchem1968,2,6-difluoro anisole,2.6-difluoro anisole,acmc-1ajjj,ksc235o3h,iobwahrfipqeql-uhfffaoysa |
| IUPAC Name | 1,3-difluoro-2-methoxybenzene |
| InChI Key | IOBWAHRFIPQEQL-UHFFFAOYSA-N |
| Molecular Formula | C7H6F2O |
N-Vanillylnonanamide 98.0+%, TCI America™
CAS: 2444-46-4 Molecular Formula: C17H27NO3 Molecular Weight (g/mol): 293.407 MDL Number: MFCD00017286 InChI Key: RGOVYLWUIBMPGK-UHFFFAOYSA-N Synonym: N-Nonylvanylamide, N-Pelargonic Acid Vanillylamide, N-Pelargonylvanillylamide, Capsaicin (Synthetic) PubChem CID: 2998 ChEBI: CHEBI:46936 IUPAC Name: N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide SMILES: CCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
| PubChem CID | 2998 |
|---|---|
| CAS | 2444-46-4 |
| Molecular Weight (g/mol) | 293.407 |
| ChEBI | CHEBI:46936 |
| MDL Number | MFCD00017286 |
| SMILES | CCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC |
| Synonym | N-Nonylvanylamide, N-Pelargonic Acid Vanillylamide, N-Pelargonylvanillylamide, Capsaicin (Synthetic) |
| IUPAC Name | N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide |
| InChI Key | RGOVYLWUIBMPGK-UHFFFAOYSA-N |
| Molecular Formula | C17H27NO3 |
3-(4-Hydroxy-3-methoxyphenyl)-1-propanol 98.0+%, TCI America™
CAS: 2305-13-7 Molecular Formula: C10H14O3 Molecular Weight (g/mol): 182.22 MDL Number: MFCD00016571 InChI Key: MWOMNLDJNQWJMK-UHFFFAOYSA-N Synonym: Dihydroconiferyl Alcohol PubChem CID: 16822 ChEBI: CHEBI:4559 IUPAC Name: 4-(3-hydroxypropyl)-2-methoxyphenol SMILES: COC1=CC(CCCO)=CC=C1O
| PubChem CID | 16822 |
|---|---|
| CAS | 2305-13-7 |
| Molecular Weight (g/mol) | 182.22 |
| ChEBI | CHEBI:4559 |
| MDL Number | MFCD00016571 |
| SMILES | COC1=CC(CCCO)=CC=C1O |
| Synonym | Dihydroconiferyl Alcohol |
| IUPAC Name | 4-(3-hydroxypropyl)-2-methoxyphenol |
| InChI Key | MWOMNLDJNQWJMK-UHFFFAOYSA-N |
| Molecular Formula | C10H14O3 |
4-(Trifluoromethoxy)anisole 97.0+%, TCI America™
CAS: 710-18-9 Molecular Formula: C8H7F3O2 Molecular Weight (g/mol): 192.137 MDL Number: MFCD00216942 InChI Key: NOAFZIOGGDPYKK-UHFFFAOYSA-N Synonym: 4-trifluoromethoxy anisole,1-methoxy-4-trifluoromethoxy benzene,p-trifluoromethoxy anisole,4-trifluoromethoxyanisole,benzene, 1-methoxy-4-trifluoromethoxy,4-methoxy trifluoromethoxy benzene,hydroquinone methyl trifluoromethyl ether,trifluoro 4-methoxyphenoxy methane,pubchem3570,acmc-1bcz3 PubChem CID: 2724973 IUPAC Name: 1-methoxy-4-(trifluoromethoxy)benzene SMILES: COC1=CC=C(C=C1)OC(F)(F)F
| PubChem CID | 2724973 |
|---|---|
| CAS | 710-18-9 |
| Molecular Weight (g/mol) | 192.137 |
| MDL Number | MFCD00216942 |
| SMILES | COC1=CC=C(C=C1)OC(F)(F)F |
| Synonym | 4-trifluoromethoxy anisole,1-methoxy-4-trifluoromethoxy benzene,p-trifluoromethoxy anisole,4-trifluoromethoxyanisole,benzene, 1-methoxy-4-trifluoromethoxy,4-methoxy trifluoromethoxy benzene,hydroquinone methyl trifluoromethyl ether,trifluoro 4-methoxyphenoxy methane,pubchem3570,acmc-1bcz3 |
| IUPAC Name | 1-methoxy-4-(trifluoromethoxy)benzene |
| InChI Key | NOAFZIOGGDPYKK-UHFFFAOYSA-N |
| Molecular Formula | C8H7F3O2 |
2-(4-Methoxyphenyl)benzothiazole 98.0+%, TCI America™
CAS: 6265-92-5 Molecular Formula: C14H11NOS Molecular Weight (g/mol): 241.308 InChI Key: AOPZIJQISHFZBN-UHFFFAOYSA-N Synonym: 4-(2-Benzothiazolyl)anisole, 1-(2-Benzothiazolyl)-4-methoxybenzene PubChem CID: 95753 IUPAC Name: 2-(4-methoxyphenyl)-1,3-benzothiazole SMILES: COC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2
| PubChem CID | 95753 |
|---|---|
| CAS | 6265-92-5 |
| Molecular Weight (g/mol) | 241.308 |
| SMILES | COC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2 |
| Synonym | 4-(2-Benzothiazolyl)anisole, 1-(2-Benzothiazolyl)-4-methoxybenzene |
| IUPAC Name | 2-(4-methoxyphenyl)-1,3-benzothiazole |
| InChI Key | AOPZIJQISHFZBN-UHFFFAOYSA-N |
| Molecular Formula | C14H11NOS |
4-Ethylanisole 98.0+%, TCI America™
CAS: 1515-95-3 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00015176 InChI Key: HDNRAPAFJLXKBV-UHFFFAOYSA-N Synonym: 4-ethylanisole,p-ethylanisole,benzene, 1-ethyl-4-methoxy,anisole, p-ethyl,p-ethylanisol,unii-i71p5qg20s,4-ethyl-1-methoxybenzene,4-ethyl anisole,4-ethylmethoxybenzene,acmc-1btzv PubChem CID: 73690 IUPAC Name: 1-ethyl-4-methoxybenzene SMILES: CCC1=CC=C(C=C1)OC
| PubChem CID | 73690 |
|---|---|
| CAS | 1515-95-3 |
| Molecular Weight (g/mol) | 136.194 |
| MDL Number | MFCD00015176 |
| SMILES | CCC1=CC=C(C=C1)OC |
| Synonym | 4-ethylanisole,p-ethylanisole,benzene, 1-ethyl-4-methoxy,anisole, p-ethyl,p-ethylanisol,unii-i71p5qg20s,4-ethyl-1-methoxybenzene,4-ethyl anisole,4-ethylmethoxybenzene,acmc-1btzv |
| IUPAC Name | 1-ethyl-4-methoxybenzene |
| InChI Key | HDNRAPAFJLXKBV-UHFFFAOYSA-N |
| Molecular Formula | C9H12O |
4-(2-Chloroethyl)anisole 96.0+%, TCI America™
CAS: 18217-00-0 Molecular Formula: C9H11ClO Molecular Weight (g/mol): 170.64 MDL Number: MFCD00044718 InChI Key: PMIAMRAWHYEPNH-UHFFFAOYSA-N Synonym: 1-2-chloroethyl-4-methoxybenzene,4-2-chloroethyl anisole,4-2-chloroethyl phenyl methyl ether,benzene, 1-2-chloroethyl-4-methoxy,p-2-chloro ethyl anisole,2-4-methoxyphenyl-ethylchloride,4-methoxyphenethyl chloride,acmc-1c78x,4-methoxyphenylethyl chloride,2-4-methoxyphenyl ethylchloride PubChem CID: 87513 IUPAC Name: 1-(2-chloroethyl)-4-methoxybenzene SMILES: COC1=CC=C(CCCl)C=C1
| PubChem CID | 87513 |
|---|---|
| CAS | 18217-00-0 |
| Molecular Weight (g/mol) | 170.64 |
| MDL Number | MFCD00044718 |
| SMILES | COC1=CC=C(CCCl)C=C1 |
| Synonym | 1-2-chloroethyl-4-methoxybenzene,4-2-chloroethyl anisole,4-2-chloroethyl phenyl methyl ether,benzene, 1-2-chloroethyl-4-methoxy,p-2-chloro ethyl anisole,2-4-methoxyphenyl-ethylchloride,4-methoxyphenethyl chloride,acmc-1c78x,4-methoxyphenylethyl chloride,2-4-methoxyphenyl ethylchloride |
| IUPAC Name | 1-(2-chloroethyl)-4-methoxybenzene |
| InChI Key | PMIAMRAWHYEPNH-UHFFFAOYSA-N |
| Molecular Formula | C9H11ClO |
3-Chloro-5-fluoroanisole 96.0+%, TCI America™
CAS: 202925-08-4 Molecular Formula: C7H6ClFO Molecular Weight (g/mol): 160.57 MDL Number: MFCD00070770 InChI Key: XPZBNEWAZPZUHF-UHFFFAOYSA-N PubChem CID: 2779258 IUPAC Name: 1-chloro-3-fluoro-5-methoxybenzene SMILES: COC1=CC(F)=CC(Cl)=C1
| PubChem CID | 2779258 |
|---|---|
| CAS | 202925-08-4 |
| Molecular Weight (g/mol) | 160.57 |
| MDL Number | MFCD00070770 |
| SMILES | COC1=CC(F)=CC(Cl)=C1 |
| IUPAC Name | 1-chloro-3-fluoro-5-methoxybenzene |
| InChI Key | XPZBNEWAZPZUHF-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClFO |
4-Methoxybenzyl Alcohol 98.0+%, TCI America™
CAS: 105-13-5 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00004653 InChI Key: MSHFRERJPWKJFX-UHFFFAOYSA-N Synonym: 4-methoxybenzyl alcohol,4-methoxyphenyl methanol,anise alcohol,anisyl alcohol,p-anisyl alcohol,p-methoxybenzyl alcohol,benzenemethanol, 4-methoxy,anisic alcohol,p-anisol alcohol,4-methoxybenzenemethanol PubChem CID: 7738 ChEBI: CHEBI:86918 IUPAC Name: (4-methoxyphenyl)methanol SMILES: COC1=CC=C(CO)C=C1
| PubChem CID | 7738 |
|---|---|
| CAS | 105-13-5 |
| Molecular Weight (g/mol) | 138.17 |
| ChEBI | CHEBI:86918 |
| MDL Number | MFCD00004653 |
| SMILES | COC1=CC=C(CO)C=C1 |
| Synonym | 4-methoxybenzyl alcohol,4-methoxyphenyl methanol,anise alcohol,anisyl alcohol,p-anisyl alcohol,p-methoxybenzyl alcohol,benzenemethanol, 4-methoxy,anisic alcohol,p-anisol alcohol,4-methoxybenzenemethanol |
| IUPAC Name | (4-methoxyphenyl)methanol |
| InChI Key | MSHFRERJPWKJFX-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |
sec-Butylbenzene 99.0+%, TCI America™
CAS: 135-98-8 Molecular Formula: C10H14 Molecular Weight (g/mol): 134.222 MDL Number: MFCD00009329 InChI Key: ZJMWRROPUADPEA-UHFFFAOYSA-N Synonym: sec-butylbenzene,2-phenylbutane,1-methylpropyl benzene,secondary butylbenzene,benzene, 1-methylpropyl,s-butylbenzene,benzene, sec-butyl,1-sec-butylbenzene,methylpropyl benzene,secbutylbenzene PubChem CID: 8680 ChEBI: CHEBI:35097 IUPAC Name: butan-2-ylbenzene SMILES: CCC(C)C1=CC=CC=C1
| PubChem CID | 8680 |
|---|---|
| CAS | 135-98-8 |
| Molecular Weight (g/mol) | 134.222 |
| ChEBI | CHEBI:35097 |
| MDL Number | MFCD00009329 |
| SMILES | CCC(C)C1=CC=CC=C1 |
| Synonym | sec-butylbenzene,2-phenylbutane,1-methylpropyl benzene,secondary butylbenzene,benzene, 1-methylpropyl,s-butylbenzene,benzene, sec-butyl,1-sec-butylbenzene,methylpropyl benzene,secbutylbenzene |
| IUPAC Name | butan-2-ylbenzene |
| InChI Key | ZJMWRROPUADPEA-UHFFFAOYSA-N |
| Molecular Formula | C10H14 |
2,4-Dichlorobenzoic Acid 97.0+%, TCI America™
CAS: 50-84-0 Molecular Formula: C7H4Cl2O2 Molecular Weight (g/mol): 191.007 MDL Number: MFCD00002414 InChI Key: ATCRIUVQKHMXSH-UHFFFAOYSA-N Synonym: benzoic acid, 2,4-dichloro,2,4-dichlorobenzoesyre,2,4 dichlorobenzoic acid,2,4-dichloro-benzoic acid,2,4-dichlorobenzoicacid,ccris 9472,furosemide impurity e,pubchem21313,acmc-209kqh,wln: qvr bg dg PubChem CID: 5787 ChEBI: CHEBI:30748 IUPAC Name: 2,4-dichlorobenzoic acid SMILES: C1=CC(=C(C=C1Cl)Cl)C(=O)O
| PubChem CID | 5787 |
|---|---|
| CAS | 50-84-0 |
| Molecular Weight (g/mol) | 191.007 |
| ChEBI | CHEBI:30748 |
| MDL Number | MFCD00002414 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)C(=O)O |
| Synonym | benzoic acid, 2,4-dichloro,2,4-dichlorobenzoesyre,2,4 dichlorobenzoic acid,2,4-dichloro-benzoic acid,2,4-dichlorobenzoicacid,ccris 9472,furosemide impurity e,pubchem21313,acmc-209kqh,wln: qvr bg dg |
| IUPAC Name | 2,4-dichlorobenzoic acid |
| InChI Key | ATCRIUVQKHMXSH-UHFFFAOYSA-N |
| Molecular Formula | C7H4Cl2O2 |