3-(1-hydroxy-2-phenylethyl)-1H-indole-5-carbonitrile

C17H14N2O — CID 28509

IUPAC3-(1-hydroxy-2-phenylethyl)-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(C(O)Cc3ccccc3)c2c1
InChIInChI=1S/C17H14N2O/c18-10-13-6-7-16-14(8-13)15(11-19-16)17(20)9-12-4-2-1-3-5-12/h1-8,11,17,19-20H,9H2
InChIKeyFYFJYVULGPVOJY-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.32
Rot. Bonds3

About 3-(1-hydroxy-2-phenylethyl)-1H-indole-5-carbonitrile

3-(1-hydroxy-2-phenylethyl)-1H-indole-5-carbonitrile (PubChem CID 28509) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-(1-hydroxy-2-phenylethyl)-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-(1-hydroxy-2-phenylethyl)-1H-indole-5-carbonitrile
PubChem CID28509
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name3-(1-hydroxy-2-phenylethyl)-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(C(O)Cc3ccccc3)c2c1
InChIInChI=1S/C17H14N2O/c18-10-13-6-7-16-14(8-13)15(11-19-16)17(20)9-12-4-2-1-3-5-12/h1-8,11,17,19-20H,9H2
InChIKeyFYFJYVULGPVOJY-UHFFFAOYSA-N
XLogP3.32
TPSA59.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Indole-3-Carbinol
CID 3712
Tryptophol
CID 10685
Azd-1080
CID 135564570
(R)-1-((R)-3-Chloro-phenyl)-2-[2-(1H-indol-3-yl)-1-methyl-ethylamino]-ethanol
CID 9927453
1-(3-Chloro-phenyl)-2-[2-(1H-indol-3-yl)-1-methyl-ethylamino]-ethanol
CID 11324939
3-{4-[4-(4-Hydroxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carbonitrile
CID 11374697
(3R,4S)-5,7-difluoro-6-(1H-indol-7-yl)-2,2,4-trimethyl-3,4-dihydro-1H-quinolin-3-ol
CID 51346823
(3R,4S)-7-fluoro-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol
CID 53323657
1-(1H-indol-3-yl)-2-(piperidin-1-yl)ethanol
CID 3599332
2-[2-(1H-indol-3-yl)ethylamino]-1-phenylethanol
CID 4035295
Cordysinin C/D
CID 10899924
(1H-indol-5-yl)methanol
CID 2773458

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxy-2-phenylethyl)-1H-indole-5-carbonitrile?
The IUPAC name of 3-(1-hydroxy-2-phenylethyl)-1H-indole-5-carbonitrile (CID 28509) is 3-(1-hydroxy-2-phenylethyl)-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-(1-hydroxy-2-phenylethyl)-1H-indole-5-carbonitrile?
The canonical SMILES for 3-(1-hydroxy-2-phenylethyl)-1H-indole-5-carbonitrile is N#Cc1ccc2[nH]cc(C(O)Cc3ccccc3)c2c1.
What is the InChIKey of 3-(1-hydroxy-2-phenylethyl)-1H-indole-5-carbonitrile?
The InChIKey is FYFJYVULGPVOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c18-10-13-6-7-16-14(8-13)15(11-19-16)17(20)9-12-4-2-1-3-5-12/h1-8,11,17,19-20H,9H2.
What are the key properties of 3-(1-hydroxy-2-phenylethyl)-1H-indole-5-carbonitrile?
3-(1-hydroxy-2-phenylethyl)-1H-indole-5-carbonitrile has a molecular weight of 262.31 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxy-2-phenylethyl)-1H-indole-5-carbonitrile is sourced from PubChem (CID 28509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).