6-methyl-2-phenyl-1-benzofuran-3-carbonitrile

C16H11NO — CID 66559410

IUPAC6-methyl-2-phenyl-1-benzofuran-3-carbonitrile
SMILESCc1ccc2c(C#N)c(-c3ccccc3)oc2c1
InChIInChI=1S/C16H11NO/c1-11-7-8-13-14(10-17)16(18-15(13)9-11)12-5-3-2-4-6-12/h2-9H,1H3
InChIKeyOOECOAHEEKGNTF-UHFFFAOYSA-N
MW233.27 g/mol
LogP4.28
Rot. Bonds1

About 6-methyl-2-phenyl-1-benzofuran-3-carbonitrile

6-methyl-2-phenyl-1-benzofuran-3-carbonitrile (PubChem CID 66559410) has the molecular formula C16H11NO and a molecular weight of 233.27 g/mol. Its IUPAC name is 6-methyl-2-phenyl-1-benzofuran-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-phenyl-1-benzofuran-3-carbonitrile
PubChem CID66559410
Molecular FormulaC16H11NO
Molecular Weight233.27 g/mol
Exact Mass233.08
IUPAC Name6-methyl-2-phenyl-1-benzofuran-3-carbonitrile
SMILESCc1ccc2c(C#N)c(-c3ccccc3)oc2c1
InChIInChI=1S/C16H11NO/c1-11-7-8-13-14(10-17)16(18-15(13)9-11)12-5-3-2-4-6-12/h2-9H,1H3
InChIKeyOOECOAHEEKGNTF-UHFFFAOYSA-N
XLogP4.28
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

sodium 3-cyano-7-methyl-2-oxochromen-4-olate
CID 90675185
5-methyl-2-phenyl-1-benzofuran-3-ol
CID 71372497
6-methyl-3-phenyl-2-(1,2,2-trifluoroethyl)-1-benzofuran
CID 175426427
1-amino-3,6-dimethyl-4-phenylnaphthalene-2-carbonitrile
CID 11616030
3-iodo-6-methyl-2-phenylchromen-4-one
CID 164665609
N,5-dimethyl-2-phenyl-1-benzofuran-3-carboxamide
CID 10333083
2-amino-6-methyl-3-phenylquinoline-4-carbonitrile
CID 123813624
2,6-di(carbazol-9-yl)-4-phenylpyridine-3,5-dicarbonitrile;2,4,5,6-tetra(carbazol-9-yl)benzene-1,3-dicarbonitrile;2,4,5,6-tetrakis(3,6-dimethylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 159171275
2,7-dimethyl-3-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-carbonitrile
CID 170250971
7-methoxy-2-(4-methoxyphenyl)-4-oxochromene-3-carbonitrile
CID 71378369
2,5-bis(3,6-dimethylcarbazol-9-yl)-3,6-bis(3,6-diphenylcarbazol-9-yl)benzene-1,4-dicarbonitrile
CID 154601716
5-methyl-3-(4-methylphenyl)sulfanyl-2-phenyl-1-benzofuran
CID 102585445

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-phenyl-1-benzofuran-3-carbonitrile?
The IUPAC name of 6-methyl-2-phenyl-1-benzofuran-3-carbonitrile (CID 66559410) is 6-methyl-2-phenyl-1-benzofuran-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-phenyl-1-benzofuran-3-carbonitrile?
The canonical SMILES for 6-methyl-2-phenyl-1-benzofuran-3-carbonitrile is Cc1ccc2c(C#N)c(-c3ccccc3)oc2c1.
What is the InChIKey of 6-methyl-2-phenyl-1-benzofuran-3-carbonitrile?
The InChIKey is OOECOAHEEKGNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO/c1-11-7-8-13-14(10-17)16(18-15(13)9-11)12-5-3-2-4-6-12/h2-9H,1H3.
What are the key properties of 6-methyl-2-phenyl-1-benzofuran-3-carbonitrile?
6-methyl-2-phenyl-1-benzofuran-3-carbonitrile has a molecular weight of 233.27 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-phenyl-1-benzofuran-3-carbonitrile is sourced from PubChem (CID 66559410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).