2-[3-[(E)-3-phenylprop-2-enyl]indol-3-yl]ethanol

C19H19NO — CID 134949262

IUPAC2-[3-[(E)-3-phenylprop-2-enyl]indol-3-yl]ethanol
SMILESOCCC1(C/C=C/c2ccccc2)C=Nc2ccccc21
InChIInChI=1S/C19H19NO/c21-14-13-19(12-6-9-16-7-2-1-3-8-16)15-20-18-11-5-4-10-17(18)19/h1-11,15,21H,12-14H2/b9-6+
InChIKeyXXTPMZYQSFDECM-RMKNXTFCSA-N
MW277.37 g/mol
LogP4.13
Rot. Bonds5

About 2-[3-[(E)-3-phenylprop-2-enyl]indol-3-yl]ethanol

2-[3-[(E)-3-phenylprop-2-enyl]indol-3-yl]ethanol (PubChem CID 134949262) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[3-[(E)-3-phenylprop-2-enyl]indol-3-yl]ethanol.

Molecular Properties

Compound Name2-[3-[(E)-3-phenylprop-2-enyl]indol-3-yl]ethanol
PubChem CID134949262
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name2-[3-[(E)-3-phenylprop-2-enyl]indol-3-yl]ethanol
SMILESOCCC1(C/C=C/c2ccccc2)C=Nc2ccccc21
InChIInChI=1S/C19H19NO/c21-14-13-19(12-6-9-16-7-2-1-3-8-16)15-20-18-11-5-4-10-17(18)19/h1-11,15,21H,12-14H2/b9-6+
InChIKeyXXTPMZYQSFDECM-RMKNXTFCSA-N
XLogP4.13
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-[(E)-3-phenylprop-2-enyl]indol-3-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3H-Indole-3-heptanol, alpha,alpha,epsilon,3-tetramethyl-eta-(3-methyl-3H-indol-3-yl)-
CID 106755
Spiro[indole-3,4'-oxane]
CID 101574083
1,1,1-Trifluoro-4-phenyl-2-[(phenyl)iminomethyl]-4-methylpentan-2-ol
CID 17989109
8,8-bis(3H-indol-3-yl)-2,6-dimethyloctan-2-ol
CID 22750441
2-[6-fluoro-2-methyl-3-(3H-quinolin-4-ylidene)inden-1-yl]ethanol
CID 57116361
2-[(3Z)-6-fluoro-2-methyl-3-(3H-quinolin-4-ylidene)inden-1-yl]ethanol
CID 88255045
(3S)-3-(3-fluorophenyl)-3-spiro[cyclohexane-2,3'-indole]-1-ylpropan-1-ol
CID 91224466
2-[3-[(4-Fluoro-2-methylphenyl)iminomethyl]phenyl]-2-methylpropan-1-ol
CID 174247274
(3S)-3-benzyl-3-prop-2-enylindole
CID 71762622
3-methyl-3-[(E)-3-phenylprop-2-enyl]indole
CID 102189641
(4R)-3-phenylspiro[cyclopent-2-ene-4,3'-indole]-1-ol
CID 122208052
4-Methyl-2-[(phenylimino)methyl]-2-(2-phenyl-propan-2-yl)phenol
CID 129740452

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(E)-3-phenylprop-2-enyl]indol-3-yl]ethanol?
The IUPAC name of 2-[3-[(E)-3-phenylprop-2-enyl]indol-3-yl]ethanol (CID 134949262) is 2-[3-[(E)-3-phenylprop-2-enyl]indol-3-yl]ethanol.
What is the SMILES notation for 2-[3-[(E)-3-phenylprop-2-enyl]indol-3-yl]ethanol?
The canonical SMILES for 2-[3-[(E)-3-phenylprop-2-enyl]indol-3-yl]ethanol is OCCC1(C/C=C/c2ccccc2)C=Nc2ccccc21.
What is the InChIKey of 2-[3-[(E)-3-phenylprop-2-enyl]indol-3-yl]ethanol?
The InChIKey is XXTPMZYQSFDECM-RMKNXTFCSA-N. The full InChI is InChI=1S/C19H19NO/c21-14-13-19(12-6-9-16-7-2-1-3-8-16)15-20-18-11-5-4-10-17(18)19/h1-11,15,21H,12-14H2/b9-6+.
What are the key properties of 2-[3-[(E)-3-phenylprop-2-enyl]indol-3-yl]ethanol?
2-[3-[(E)-3-phenylprop-2-enyl]indol-3-yl]ethanol has a molecular weight of 277.37 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(E)-3-phenylprop-2-enyl]indol-3-yl]ethanol is sourced from PubChem (CID 134949262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).