3-(Hydroxyphenylmethyl)indole-5-carbonitrile

HCID 21907623
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Basic information

Standard SMILES
N#Cc1ccc2[nH]cc(C(O)c3ccccc3)c2c1
InChIKey
PQSNVCFZPHFWKX-UHFFFAOYSA-N
Molecular formula
C16H12N2O
Average molar mass
248.28 g/mol

Names & identifiers

Preferred name
3-(Hydroxyphenylmethyl)indole-5-carbonitrile
IUPAC
3-[hydroxy(phenyl)methyl]-1H-indole-5-carbonitrile

Names & synonyms

SCHEMBL4627913PQSNVCFZPHFWKX-UHFFFAOYSA-N3-(hydroxyphenylmethyl)indole-5-carbonitrile

Database identifiers

PubChem CID
21907623

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
59.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
19

Related reactions

2 records
New reaction record

Compound notes

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