Basic information
- CAS
129332-30-5- Standard SMILES
CC(C)n1c(C=CC=O)c(-c2ccc(F)cc2)c2ccccc21- InChIKey
DVWHSTKQJBIYCK-UHFFFAOYSA-N- Molecular formula
- C20H18FNO
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.13724242
Names & identifiers
- Preferred name
- 3-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-YL]-2-propenal
- IUPAC
- 3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enal
- English name
- 1-ISOPROPYL-2-ACROLEIN-3-(4-FLUOROPHENYL)-INDOLE
- Molecular formula
- C20H18FNO
- Molecular weight
- 307.36
Names & synonyms
3-[3-(4-FLUOROPHENYL)-1-(1-METHYLETHYL)-1H-INDOL-2-YL]-2-PROPENALC20H18FNOSCHEMBL5847132SCHEMBL29999171(E)-3-[3'-(4"-Fluorophenyl)-1'-(1"-methylethyl)-1H-indol-2"-yl]-2-propnalDVWHSTKQJBIYCK-UHFFFAOYSA-NDTXSID501167684(e)-3-[3-(4-fluorophenyl)-1-(1-methylethyl)-1h-indole-2-yl] propenalAKOS030228125AB16753DB-0166741-Isopropyl-2-acrolein-3-(4-fluorophenyl)-indole
Show more names
Fenal3-(3-4-FLUOROPHENYL-1-ISOPROPYL-1H-INDOLE-2-YL) PROPENAL3-[3-(4-Fluorophenyl)-1-isopropyl-1H-indole-2-yl]-2-propenal3-(3-(4-Fluorophenyl)-1-isopropyl-1H-indol-2-yl)acrylaldehyde2-Propenal, 3-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-Fenal（3-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-2-propenal）(E)-3-[3'-(4''-FLUOROPHENYL)-1'-(1''-METHYLETHYL)-1H-INDOL-2''-YL]-2-PROPENAL
3-[3-(4-fluorophenyl)-1-isopropyl-indol-2-yl]prop-2-enal3-[3-(4-fluoro-phenyl)-1-isopropyl-1H-indol-2-yl]-propenal3-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]prop-2-enal
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 22 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 427
Physicochemical properties
- Melting point
- 122 · 122-124 °C
- Boiling point
- 497.6 · 497.6±45.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers9 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
浙江泽天精细化工有限公司0571-87322520 18957127338 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
浙江泽天精细化工有限公司18957127338 · [email protected]
郑州艾克姆化工有限公司13303867194 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
重庆卡兰医药有限公司[email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
Related reactions
3 records
Compound notes
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