4-hydroxy-2-(1H-indol-3-yl)-3-methoxybenzonitrile

C16H12N2O2 — CID 15425105

IUPAC4-hydroxy-2-(1H-indol-3-yl)-3-methoxybenzonitrile
SMILESCOc1c(O)ccc(C#N)c1-c1c[nH]c2ccccc12
InChIInChI=1S/C16H12N2O2/c1-20-16-14(19)7-6-10(8-17)15(16)12-9-18-13-5-3-2-4-11(12)13/h2-7,9,18-19H,1H3
InChIKeyHUGSSQFPYQEAEW-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.42
Rot. Bonds2

About 4-hydroxy-2-(1H-indol-3-yl)-3-methoxybenzonitrile

4-hydroxy-2-(1H-indol-3-yl)-3-methoxybenzonitrile (PubChem CID 15425105) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-hydroxy-2-(1H-indol-3-yl)-3-methoxybenzonitrile.

Molecular Properties

Compound Name4-hydroxy-2-(1H-indol-3-yl)-3-methoxybenzonitrile
PubChem CID15425105
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name4-hydroxy-2-(1H-indol-3-yl)-3-methoxybenzonitrile
SMILESCOc1c(O)ccc(C#N)c1-c1c[nH]c2ccccc12
InChIInChI=1S/C16H12N2O2/c1-20-16-14(19)7-6-10(8-17)15(16)12-9-18-13-5-3-2-4-11(12)13/h2-7,9,18-19H,1H3
InChIKeyHUGSSQFPYQEAEW-UHFFFAOYSA-N
XLogP3.42
TPSA69.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-indol-3-yl)-7-methoxynaphthalen-2-ol
CID 142739880
4-(4-hydroxy-3-methoxyphenyl)-2,6-bis(1H-indol-3-yl)pyridine-3,5-dicarbonitrile
CID 136854497
3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-diol
CID 91429863
4-(1H-indol-3-yl)-1,7-naphthyridine-3-carbonitrile
CID 175828285
3-(1H-indol-3-yl)-4-methoxybenzoic acid
CID 82039782
3-fluoro-4-hydroxy-2-methoxybenzonitrile
CID 117276441
4-hydroxy-9H-carbazole-1-carbonitrile
CID 86108678
5-(5-fluoro-2-hydroxybenzoyl)-2-(1H-indol-3-yl)pyridine-3-carbonitrile
CID 102222596
2-(1H-indol-3-yl)-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile
CID 71481907
2,6-bis(1H-indol-3-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 171396109
dimethyl 3,4-bis(1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dicarboxylate
CID 163112824
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(1H-indol-3-yl)-3-methoxybenzonitrile?
The IUPAC name of 4-hydroxy-2-(1H-indol-3-yl)-3-methoxybenzonitrile (CID 15425105) is 4-hydroxy-2-(1H-indol-3-yl)-3-methoxybenzonitrile.
What is the SMILES notation for 4-hydroxy-2-(1H-indol-3-yl)-3-methoxybenzonitrile?
The canonical SMILES for 4-hydroxy-2-(1H-indol-3-yl)-3-methoxybenzonitrile is COc1c(O)ccc(C#N)c1-c1c[nH]c2ccccc12.
What is the InChIKey of 4-hydroxy-2-(1H-indol-3-yl)-3-methoxybenzonitrile?
The InChIKey is HUGSSQFPYQEAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c1-20-16-14(19)7-6-10(8-17)15(16)12-9-18-13-5-3-2-4-11(12)13/h2-7,9,18-19H,1H3.
What are the key properties of 4-hydroxy-2-(1H-indol-3-yl)-3-methoxybenzonitrile?
4-hydroxy-2-(1H-indol-3-yl)-3-methoxybenzonitrile has a molecular weight of 264.28 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(1H-indol-3-yl)-3-methoxybenzonitrile is sourced from PubChem (CID 15425105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).