Phenylpropanoids and polyketides
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3-(1-Naphthyl)acrylic acid, 98%
CAS: 13026-12-5 Molecular Formula: C13H10O2 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00014317,MFCD00014317 InChI Key: WPXMLUUYWNHQOR-CMDGGOBGSA-N Synonym: naphthalene-1-acrylic acid,z-3-1-naphthyl acrylic acid,z-3-naphthalen-1-yl-acrylic acid,z-3-naphthalen-1-yl acrylic acid,2z-3-naphthalen-1-yl prop-2-enoic acid PubChem CID: 12158295 SMILES: OC(=O)\C=C\C1=C2C=CC=CC2=CC=C1
| PubChem CID | 12158295 |
|---|---|
| CAS | 13026-12-5 |
| Molecular Weight (g/mol) | 198.22 |
| MDL Number | MFCD00014317,MFCD00014317 |
| SMILES | OC(=O)\C=C\C1=C2C=CC=CC2=CC=C1 |
| Synonym | naphthalene-1-acrylic acid,z-3-1-naphthyl acrylic acid,z-3-naphthalen-1-yl-acrylic acid,z-3-naphthalen-1-yl acrylic acid,2z-3-naphthalen-1-yl prop-2-enoic acid |
| InChI Key | WPXMLUUYWNHQOR-CMDGGOBGSA-N |
| Molecular Formula | C13H10O2 |
1,3-Diphenyl-1-butanone, 95%, Thermo Scientific Chemicals
CAS: 1533-20-6 Molecular Formula: C16H16O Molecular Weight (g/mol): 224.303 MDL Number: MFCD00026345 InChI Key: GIVFXLVPKFXTCU-UHFFFAOYSA-N Synonym: 1,3-diphenyl-1-butanone,3-phenylbutyrophenone,b-phenylbutyrophenone,acmc-20ap3x,1,3-diphenyl-butan-1-one,phenyl 2-phenylpropyl ketone,1-butanone, 1,3-diphenyl,2-alpha-methylbenzyl acetophenone PubChem CID: 137065 IUPAC Name: 1,3-diphenylbutan-1-one SMILES: CC(CC(=O)C1=CC=CC=C1)C2=CC=CC=C2
| PubChem CID | 137065 |
|---|---|
| CAS | 1533-20-6 |
| Molecular Weight (g/mol) | 224.303 |
| MDL Number | MFCD00026345 |
| SMILES | CC(CC(=O)C1=CC=CC=C1)C2=CC=CC=C2 |
| Synonym | 1,3-diphenyl-1-butanone,3-phenylbutyrophenone,b-phenylbutyrophenone,acmc-20ap3x,1,3-diphenyl-butan-1-one,phenyl 2-phenylpropyl ketone,1-butanone, 1,3-diphenyl,2-alpha-methylbenzyl acetophenone |
| IUPAC Name | 1,3-diphenylbutan-1-one |
| InChI Key | GIVFXLVPKFXTCU-UHFFFAOYSA-N |
| Molecular Formula | C16H16O |
3-(1,3-Benzodioxol-5-yl)-1-phenyl-2-propen-1-one 98.0+%, TCI America™
CAS: 644-34-8 Molecular Formula: C16H12O3 Molecular Weight (g/mol): 252.269 MDL Number: MFCD00022990 InChI Key: ATKADZVINWFQOE-SOFGYWHQSA-N Synonym: 3,4-(Methylenedioxy)chalcone PubChem CID: 5354492 IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-1-phenylprop-2-en-1-one SMILES: C1OC2=C(O1)C=C(C=C2)C=CC(=O)C3=CC=CC=C3
| PubChem CID | 5354492 |
|---|---|
| CAS | 644-34-8 |
| Molecular Weight (g/mol) | 252.269 |
| MDL Number | MFCD00022990 |
| SMILES | C1OC2=C(O1)C=C(C=C2)C=CC(=O)C3=CC=CC=C3 |
| Synonym | 3,4-(Methylenedioxy)chalcone |
| IUPAC Name | (E)-3-(1,3-benzodioxol-5-yl)-1-phenylprop-2-en-1-one |
| InChI Key | ATKADZVINWFQOE-SOFGYWHQSA-N |
| Molecular Formula | C16H12O3 |
1,3-Diphenyl-2-propyn-1-ol, tech. 90%
CAS: 1817-49-8 Molecular Formula: C15H12O Molecular Weight (g/mol): 208.26 MDL Number: MFCD06654198 InChI Key: DZZWMODRWHHWFR-UHFFFAOYSA-N Synonym: 1,3-diphenyl-2-propyn-1-ol,1,3-diphenyl-prop-2-yn-1-ol,1-phenyl-3-phenyl-propyn-3-ol,1,3-diphenylpropargyl alcohol,benzenemethanol, a-2-phenylethynyl,alpha-phenyl ethynyl-benzenemethanol PubChem CID: 296659 IUPAC Name: 1,3-diphenylprop-2-yn-1-ol SMILES: C1=CC=C(C=C1)C#CC(C2=CC=CC=C2)O
| PubChem CID | 296659 |
|---|---|
| CAS | 1817-49-8 |
| Molecular Weight (g/mol) | 208.26 |
| MDL Number | MFCD06654198 |
| SMILES | C1=CC=C(C=C1)C#CC(C2=CC=CC=C2)O |
| Synonym | 1,3-diphenyl-2-propyn-1-ol,1,3-diphenyl-prop-2-yn-1-ol,1-phenyl-3-phenyl-propyn-3-ol,1,3-diphenylpropargyl alcohol,benzenemethanol, a-2-phenylethynyl,alpha-phenyl ethynyl-benzenemethanol |
| IUPAC Name | 1,3-diphenylprop-2-yn-1-ol |
| InChI Key | DZZWMODRWHHWFR-UHFFFAOYSA-N |
| Molecular Formula | C15H12O |
trans-2-Methyl-3-phenyl-2-propen-1-ol, 95%
CAS: 1504-55-8 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.2 InChI Key: LLNAMUJRIZIXHF-VQHVLOKHSA-N Synonym: 2-methyl-3-phenyl-2-propen-1-ol,beta-methylcinnamyl alcohol,2-propen-1-ol, 2-methyl-3-phenyl,alpha-methylcinnamyl alcohol,methyl cinnamic alcohol,alpha-methylcinnamic alcohol,alpha methyl cinnamic alcohol,3-phenyl-2-methyl-propen-2-ol-1,e-2-methyl-3-phenyl-2-propen-1-ol,2e-2-methyl-3-phenylprop-2-en-1-ol PubChem CID: 6393846 IUPAC Name: (E)-2-methyl-3-phenylprop-2-en-1-ol SMILES: CC(=CC1=CC=CC=C1)CO
| PubChem CID | 6393846 |
|---|---|
| CAS | 1504-55-8 |
| Molecular Weight (g/mol) | 148.2 |
| SMILES | CC(=CC1=CC=CC=C1)CO |
| Synonym | 2-methyl-3-phenyl-2-propen-1-ol,beta-methylcinnamyl alcohol,2-propen-1-ol, 2-methyl-3-phenyl,alpha-methylcinnamyl alcohol,methyl cinnamic alcohol,alpha-methylcinnamic alcohol,alpha methyl cinnamic alcohol,3-phenyl-2-methyl-propen-2-ol-1,e-2-methyl-3-phenyl-2-propen-1-ol,2e-2-methyl-3-phenylprop-2-en-1-ol |
| IUPAC Name | (E)-2-methyl-3-phenylprop-2-en-1-ol |
| InChI Key | LLNAMUJRIZIXHF-VQHVLOKHSA-N |
| Molecular Formula | C10H12O |
2,4-Diphenyl-4-methyl-1-pentene 95.0+%, TCI America™
CAS: 6362-80-7 Molecular Formula: C18H20 Molecular Weight (g/mol): 236.36 MDL Number: MFCD00044027 InChI Key: ZOKCNEIWFQCSCM-UHFFFAOYSA-N Synonym: 4-Methyl-2,4-diphenyl-1-pentene PubChem CID: 80715 IUPAC Name: (4-methyl-4-phenylpent-1-en-2-yl)benzene SMILES: CC(C)(CC(=C)C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 80715 |
|---|---|
| CAS | 6362-80-7 |
| Molecular Weight (g/mol) | 236.36 |
| MDL Number | MFCD00044027 |
| SMILES | CC(C)(CC(=C)C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 4-Methyl-2,4-diphenyl-1-pentene |
| IUPAC Name | (4-methyl-4-phenylpent-1-en-2-yl)benzene |
| InChI Key | ZOKCNEIWFQCSCM-UHFFFAOYSA-N |
| Molecular Formula | C18H20 |
3-(1-Naphthyl)acrylic Acid 95.0+%, TCI America™
CAS: 13026-12-5 Molecular Formula: C13H10O2 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00014317,MFCD00014317 InChI Key: WPXMLUUYWNHQOR-CMDGGOBGSA-N Synonym: naphthalene-1-acrylic acid,z-3-1-naphthyl acrylic acid,z-3-naphthalen-1-yl-acrylic acid,z-3-naphthalen-1-yl acrylic acid,2z-3-naphthalen-1-yl prop-2-enoic acid PubChem CID: 12158295 IUPAC Name: (2E)-3-(naphthalen-1-yl)prop-2-enoic acid SMILES: OC(=O)\C=C\C1=C2C=CC=CC2=CC=C1
| PubChem CID | 12158295 |
|---|---|
| CAS | 13026-12-5 |
| Molecular Weight (g/mol) | 198.22 |
| MDL Number | MFCD00014317,MFCD00014317 |
| SMILES | OC(=O)\C=C\C1=C2C=CC=CC2=CC=C1 |
| Synonym | naphthalene-1-acrylic acid,z-3-1-naphthyl acrylic acid,z-3-naphthalen-1-yl-acrylic acid,z-3-naphthalen-1-yl acrylic acid,2z-3-naphthalen-1-yl prop-2-enoic acid |
| IUPAC Name | (2E)-3-(naphthalen-1-yl)prop-2-enoic acid |
| InChI Key | WPXMLUUYWNHQOR-CMDGGOBGSA-N |
| Molecular Formula | C13H10O2 |
trans-1,3-Diphenyl-2-propen-1-ol 97.0+%, TCI America™
CAS: 62668-02-4 Molecular Formula: C15H14O Molecular Weight (g/mol): 210.276 MDL Number: MFCD00239426 InChI Key: ORACYDGVNJGDMI-VAWYXSNFSA-N PubChem CID: 5712032 IUPAC Name: (E)-1,3-diphenylprop-2-en-1-ol SMILES: C1=CC=C(C=C1)C=CC(C2=CC=CC=C2)O
| PubChem CID | 5712032 |
|---|---|
| CAS | 62668-02-4 |
| Molecular Weight (g/mol) | 210.276 |
| MDL Number | MFCD00239426 |
| SMILES | C1=CC=C(C=C1)C=CC(C2=CC=CC=C2)O |
| IUPAC Name | (E)-1,3-diphenylprop-2-en-1-ol |
| InChI Key | ORACYDGVNJGDMI-VAWYXSNFSA-N |
| Molecular Formula | C15H14O |
Pentafluorophenyl 3-(1-methyl-1H-pyrazol-3-yl)benzoate, 97%, Thermo Scientific™
CAS: 910037-11-5 Molecular Formula: C17H9F5N2O2 Molecular Weight (g/mol): 368.263 MDL Number: MFCD09065010 InChI Key: LGHVUZDAZTZCHC-UHFFFAOYSA-N Synonym: pentafluorophenyl 3-1-methyl-1h-pyrazol-3-yl benzoate,2,3,4,5,6-pentafluorophenyl 3-1-methylpyrazol-3-yl benzoate,pentafluorophenyl 3-1-methylpyrazol-3-yl benzoate,2,3,4,5,6-pentakis fluoranyl phenyl 3-1-methylpyrazol-3-yl benzoate,3-1-methyl-3-pyrazolyl benzoic acid 2,3,4,5,6-pentafluorophenyl ester PubChem CID: 24229633 IUPAC Name: (2,3,4,5,6-pentafluorophenyl) 3-(1-methylpyrazol-3-yl)benzoate SMILES: CN1C=CC(=N1)C2=CC(=CC=C2)C(=O)OC3=C(C(=C(C(=C3F)F)F)F)F
| PubChem CID | 24229633 |
|---|---|
| CAS | 910037-11-5 |
| Molecular Weight (g/mol) | 368.263 |
| MDL Number | MFCD09065010 |
| SMILES | CN1C=CC(=N1)C2=CC(=CC=C2)C(=O)OC3=C(C(=C(C(=C3F)F)F)F)F |
| Synonym | pentafluorophenyl 3-1-methyl-1h-pyrazol-3-yl benzoate,2,3,4,5,6-pentafluorophenyl 3-1-methylpyrazol-3-yl benzoate,pentafluorophenyl 3-1-methylpyrazol-3-yl benzoate,2,3,4,5,6-pentakis fluoranyl phenyl 3-1-methylpyrazol-3-yl benzoate,3-1-methyl-3-pyrazolyl benzoic acid 2,3,4,5,6-pentafluorophenyl ester |
| IUPAC Name | (2,3,4,5,6-pentafluorophenyl) 3-(1-methylpyrazol-3-yl)benzoate |
| InChI Key | LGHVUZDAZTZCHC-UHFFFAOYSA-N |
| Molecular Formula | C17H9F5N2O2 |
Pentafluorophenyl 4-(1-methyl-1H-pyrazol-3-yl)benzoate, 97%, Thermo Scientific™
CAS: 915707-42-5 Molecular Formula: C17H9F5N2O2 Molecular Weight (g/mol): 368.26 MDL Number: MFCD09702352 InChI Key: LGHZGIHYFYLEAC-UHFFFAOYSA-N Synonym: pentafluorophenyl 4-1-methyl-1h-pyrazol-3-yl benzoate,2,3,4,5,6-pentafluorophenyl 4-1-methylpyrazol-3-yl benzoate,pentafluorophenyl 4-1-methylpyrazol-3-yl benzoate,perfluorophenyl 4-1-methyl-1h-pyrazol-3-yl benzoate,2,3,4,5,6-pentakis fluoranyl phenyl 4-1-methylpyrazol-3-yl benzoate,4-1-methyl-3-pyrazolyl benzoic acid 2,3,4,5,6-pentafluorophenyl ester PubChem CID: 24229473 SMILES: CN1C=CC(=N1)C1=CC=C(C=C1)C(=O)OC1=C(F)C(F)=C(F)C(F)=C1F
| PubChem CID | 24229473 |
|---|---|
| CAS | 915707-42-5 |
| Molecular Weight (g/mol) | 368.26 |
| MDL Number | MFCD09702352 |
| SMILES | CN1C=CC(=N1)C1=CC=C(C=C1)C(=O)OC1=C(F)C(F)=C(F)C(F)=C1F |
| Synonym | pentafluorophenyl 4-1-methyl-1h-pyrazol-3-yl benzoate,2,3,4,5,6-pentafluorophenyl 4-1-methylpyrazol-3-yl benzoate,pentafluorophenyl 4-1-methylpyrazol-3-yl benzoate,perfluorophenyl 4-1-methyl-1h-pyrazol-3-yl benzoate,2,3,4,5,6-pentakis fluoranyl phenyl 4-1-methylpyrazol-3-yl benzoate,4-1-methyl-3-pyrazolyl benzoic acid 2,3,4,5,6-pentafluorophenyl ester |
| InChI Key | LGHZGIHYFYLEAC-UHFFFAOYSA-N |
| Molecular Formula | C17H9F5N2O2 |
Pentafluorophenyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzoate, 97%, Thermo Scientific™
CAS: 941717-00-6 Molecular Formula: C18H11F5N2O2 Molecular Weight (g/mol): 382.29 MDL Number: MFCD09879978 InChI Key: GQQALUKKLLEHOR-UHFFFAOYSA-N Synonym: pentafluorophenyl 4-3,5-dimethyl-1h-pyrazol-1-yl benzoate,2,3,4,5,6-pentafluorophenyl 4-3,5-dimethylpyrazol-1-yl benzoate,pentafluorophenyl 4-3,5-dimethylpyrazol-1-yl benzoate,2,3,4,5,6-pentakis fluoranyl phenyl 4-3,5-dimethylpyrazol-1-yl benzoate,4-3,5-dimethyl-1-pyrazolyl benzoic acid 2,3,4,5,6-pentafluorophenyl ester PubChem CID: 24229762 IUPAC Name: (2,3,4,5,6-pentafluorophenyl) 4-(3,5-dimethylpyrazol-1-yl)benzoate SMILES: CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OC3=C(C(=C(C(=C3F)F)F)F)F)C
| PubChem CID | 24229762 |
|---|---|
| CAS | 941717-00-6 |
| Molecular Weight (g/mol) | 382.29 |
| MDL Number | MFCD09879978 |
| SMILES | CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OC3=C(C(=C(C(=C3F)F)F)F)F)C |
| Synonym | pentafluorophenyl 4-3,5-dimethyl-1h-pyrazol-1-yl benzoate,2,3,4,5,6-pentafluorophenyl 4-3,5-dimethylpyrazol-1-yl benzoate,pentafluorophenyl 4-3,5-dimethylpyrazol-1-yl benzoate,2,3,4,5,6-pentakis fluoranyl phenyl 4-3,5-dimethylpyrazol-1-yl benzoate,4-3,5-dimethyl-1-pyrazolyl benzoic acid 2,3,4,5,6-pentafluorophenyl ester |
| IUPAC Name | (2,3,4,5,6-pentafluorophenyl) 4-(3,5-dimethylpyrazol-1-yl)benzoate |
| InChI Key | GQQALUKKLLEHOR-UHFFFAOYSA-N |
| Molecular Formula | C18H11F5N2O2 |
7-(Diethylamino)-3-(1-methyl-2-benzimidazolyl)coumarin 98.0+%, TCI America™
CAS: 41044-12-6 Molecular Formula: C21H21N3O2 Molecular Weight (g/mol): 347.418 MDL Number: MFCD00051349 InChI Key: KZFUMWVJJNDGAU-UHFFFAOYSA-N Synonym: coumarin 30,7-diethylamino-3-1-methyl-1h-benzo d imidazol-2-yl-2h-chromen-2-one,2h-1-benzopyran-2-one, 7-diethylamino-3-1-methyl-1h-benzimidazol-2-yl,ccris 4959,7-diethylamino-3-1-methyl-1h-benzimidazol-2-yl-2h-chromen-2-one,3-2-n-methylbenzimidazolyl-7-n,n-diethylaminocoumarin,7-diethylamino-3-1-methylbenzimidazol-2-yl chromen-2-one,7-diethylamino-3-1-methyl-1h-benzimidazol-2-yl-2-benzopyrone,7-diethylamino-3-1-methyl-1,3-benzodiazol-2-yl chromen-2-one,coumarin 515 PubChem CID: 100335 IUPAC Name: 7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one SMILES: CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4N3C
| PubChem CID | 100335 |
|---|---|
| CAS | 41044-12-6 |
| Molecular Weight (g/mol) | 347.418 |
| MDL Number | MFCD00051349 |
| SMILES | CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4N3C |
| Synonym | coumarin 30,7-diethylamino-3-1-methyl-1h-benzo d imidazol-2-yl-2h-chromen-2-one,2h-1-benzopyran-2-one, 7-diethylamino-3-1-methyl-1h-benzimidazol-2-yl,ccris 4959,7-diethylamino-3-1-methyl-1h-benzimidazol-2-yl-2h-chromen-2-one,3-2-n-methylbenzimidazolyl-7-n,n-diethylaminocoumarin,7-diethylamino-3-1-methylbenzimidazol-2-yl chromen-2-one,7-diethylamino-3-1-methyl-1h-benzimidazol-2-yl-2-benzopyrone,7-diethylamino-3-1-methyl-1,3-benzodiazol-2-yl chromen-2-one,coumarin 515 |
| IUPAC Name | 7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one |
| InChI Key | KZFUMWVJJNDGAU-UHFFFAOYSA-N |
| Molecular Formula | C21H21N3O2 |
1-(4-tert-Butylphenyl)-3-(4-methoxyphenyl)-1,3-propanedione 98.0+%, TCI America™
CAS: 70356-09-1 Molecular Formula: C20H22O3 Molecular Weight (g/mol): 310.39 MDL Number: MFCD00210252 InChI Key: XNEFYCZVKIDDMS-UHFFFAOYSA-N PubChem CID: 51040 IUPAC Name: 1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione SMILES: COC1=CC=C(C=C1)C(=O)CC(=O)C1=CC=C(C=C1)C(C)(C)C
| PubChem CID | 51040 |
|---|---|
| CAS | 70356-09-1 |
| Molecular Weight (g/mol) | 310.39 |
| MDL Number | MFCD00210252 |
| SMILES | COC1=CC=C(C=C1)C(=O)CC(=O)C1=CC=C(C=C1)C(C)(C)C |
| IUPAC Name | 1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione |
| InChI Key | XNEFYCZVKIDDMS-UHFFFAOYSA-N |
| Molecular Formula | C20H22O3 |
2-Methyl-3-phenyl-2-propen-1-ol 95.0+%, TCI America™
CAS: 1504-55-8 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.205 MDL Number: MFCD00004738 InChI Key: LLNAMUJRIZIXHF-VQHVLOKHSA-N Synonym: 2-methyl-3-phenyl-2-propen-1-ol,beta-methylcinnamyl alcohol,2-propen-1-ol, 2-methyl-3-phenyl,alpha-methylcinnamyl alcohol,methyl cinnamic alcohol,alpha-methylcinnamic alcohol,alpha methyl cinnamic alcohol,3-phenyl-2-methyl-propen-2-ol-1,e-2-methyl-3-phenyl-2-propen-1-ol,2e-2-methyl-3-phenylprop-2-en-1-ol PubChem CID: 6393846 IUPAC Name: (E)-2-methyl-3-phenylprop-2-en-1-ol SMILES: CC(=CC1=CC=CC=C1)CO
| PubChem CID | 6393846 |
|---|---|
| CAS | 1504-55-8 |
| Molecular Weight (g/mol) | 148.205 |
| MDL Number | MFCD00004738 |
| SMILES | CC(=CC1=CC=CC=C1)CO |
| Synonym | 2-methyl-3-phenyl-2-propen-1-ol,beta-methylcinnamyl alcohol,2-propen-1-ol, 2-methyl-3-phenyl,alpha-methylcinnamyl alcohol,methyl cinnamic alcohol,alpha-methylcinnamic alcohol,alpha methyl cinnamic alcohol,3-phenyl-2-methyl-propen-2-ol-1,e-2-methyl-3-phenyl-2-propen-1-ol,2e-2-methyl-3-phenylprop-2-en-1-ol |
| IUPAC Name | (E)-2-methyl-3-phenylprop-2-en-1-ol |
| InChI Key | LLNAMUJRIZIXHF-VQHVLOKHSA-N |
| Molecular Formula | C10H12O |