1-[4-(hydroxymethyl)phenyl]indole-2-carbonitrile

C16H12N2O — CID 10354639

IUPAC1-[4-(hydroxymethyl)phenyl]indole-2-carbonitrile
SMILESN#Cc1cc2ccccc2n1-c1ccc(CO)cc1
InChIInChI=1S/C16H12N2O/c17-10-15-9-13-3-1-2-4-16(13)18(15)14-7-5-12(11-19)6-8-14/h1-9,19H,11H2
InChIKeyMVZZUXBAOMPLNJ-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.99
Rot. Bonds2

About 1-[4-(hydroxymethyl)phenyl]indole-2-carbonitrile

1-[4-(hydroxymethyl)phenyl]indole-2-carbonitrile (PubChem CID 10354639) has the molecular formula C16H12N2O and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)phenyl]indole-2-carbonitrile.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)phenyl]indole-2-carbonitrile
PubChem CID10354639
Molecular FormulaC16H12N2O
Molecular Weight248.28 g/mol
Exact Mass248.09
IUPAC Name1-[4-(hydroxymethyl)phenyl]indole-2-carbonitrile
SMILESN#Cc1cc2ccccc2n1-c1ccc(CO)cc1
InChIInChI=1S/C16H12N2O/c17-10-15-9-13-3-1-2-4-16(13)18(15)14-7-5-12(11-19)6-8-14/h1-9,19H,11H2
InChIKeyMVZZUXBAOMPLNJ-UHFFFAOYSA-N
XLogP2.99
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylphenyl)indole-2-carbonitrile
CID 174595640
1-butyl-2-[[4-(2-cyanoindol-1-yl)phenyl]-hydroxymethyl]indole-3-carboxylic acid
CID 18946821
1-amino-N-[[4-(2-cyano-5-fluoroindol-1-yl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 67517859
1-phenyl-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]indole
CID 53329005
2-(2-cyanoindol-1-yl)ethylcarbamic acid
CID 135333194
[9-[4-[4-[3-(hydroxymethyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]methanol
CID 58625620
phenylmethanol;hydrate
CID 68812705
pyrido[1,2-a]indol-8-ylmethanol
CID 70366473
CID 58651990
CID 58651990
2-(2-amino-3-pyridinyl)-3-[4-(hydroxymethyl)phenyl]benzimidazole-5-carbonitrile
CID 171494383
disodium;hydride;phenylmethanol
CID 174792747
sodium;phenylmethanol;hydroxide
CID 67303637

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)phenyl]indole-2-carbonitrile?
The IUPAC name of 1-[4-(hydroxymethyl)phenyl]indole-2-carbonitrile (CID 10354639) is 1-[4-(hydroxymethyl)phenyl]indole-2-carbonitrile.
What is the SMILES notation for 1-[4-(hydroxymethyl)phenyl]indole-2-carbonitrile?
The canonical SMILES for 1-[4-(hydroxymethyl)phenyl]indole-2-carbonitrile is N#Cc1cc2ccccc2n1-c1ccc(CO)cc1.
What is the InChIKey of 1-[4-(hydroxymethyl)phenyl]indole-2-carbonitrile?
The InChIKey is MVZZUXBAOMPLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c17-10-15-9-13-3-1-2-4-16(13)18(15)14-7-5-12(11-19)6-8-14/h1-9,19H,11H2.
What are the key properties of 1-[4-(hydroxymethyl)phenyl]indole-2-carbonitrile?
1-[4-(hydroxymethyl)phenyl]indole-2-carbonitrile has a molecular weight of 248.28 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)phenyl]indole-2-carbonitrile is sourced from PubChem (CID 10354639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).