4-(6-methoxy-1-benzofuran-2-carbonyl)benzonitrile

C17H11NO3 — CID 11637672

IUPAC4-(6-methoxy-1-benzofuran-2-carbonyl)benzonitrile
SMILESCOc1ccc2cc(C(=O)c3ccc(C#N)cc3)oc2c1
InChIInChI=1S/C17H11NO3/c1-20-14-7-6-13-8-16(21-15(13)9-14)17(19)12-4-2-11(10-18)3-5-12/h2-9H,1H3
InChIKeyRPRSCHYTOJQFOV-UHFFFAOYSA-N
MW277.28 g/mol
LogP3.54
Rot. Bonds3

About 4-(6-methoxy-1-benzofuran-2-carbonyl)benzonitrile

4-(6-methoxy-1-benzofuran-2-carbonyl)benzonitrile (PubChem CID 11637672) has the molecular formula C17H11NO3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 4-(6-methoxy-1-benzofuran-2-carbonyl)benzonitrile.

Molecular Properties

Compound Name4-(6-methoxy-1-benzofuran-2-carbonyl)benzonitrile
PubChem CID11637672
Molecular FormulaC17H11NO3
Molecular Weight277.28 g/mol
Exact Mass277.07
IUPAC Name4-(6-methoxy-1-benzofuran-2-carbonyl)benzonitrile
SMILESCOc1ccc2cc(C(=O)c3ccc(C#N)cc3)oc2c1
InChIInChI=1S/C17H11NO3/c1-20-14-7-6-13-8-16(21-15(13)9-14)17(19)12-4-2-11(10-18)3-5-12/h2-9H,1H3
InChIKeyRPRSCHYTOJQFOV-UHFFFAOYSA-N
XLogP3.54
TPSA63.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-1-benzofuran-2-carbonyl)benzonitrile?
The IUPAC name of 4-(6-methoxy-1-benzofuran-2-carbonyl)benzonitrile (CID 11637672) is 4-(6-methoxy-1-benzofuran-2-carbonyl)benzonitrile.
What is the SMILES notation for 4-(6-methoxy-1-benzofuran-2-carbonyl)benzonitrile?
The canonical SMILES for 4-(6-methoxy-1-benzofuran-2-carbonyl)benzonitrile is COc1ccc2cc(C(=O)c3ccc(C#N)cc3)oc2c1.
What is the InChIKey of 4-(6-methoxy-1-benzofuran-2-carbonyl)benzonitrile?
The InChIKey is RPRSCHYTOJQFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO3/c1-20-14-7-6-13-8-16(21-15(13)9-14)17(19)12-4-2-11(10-18)3-5-12/h2-9H,1H3.
What are the key properties of 4-(6-methoxy-1-benzofuran-2-carbonyl)benzonitrile?
4-(6-methoxy-1-benzofuran-2-carbonyl)benzonitrile has a molecular weight of 277.28 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-1-benzofuran-2-carbonyl)benzonitrile is sourced from PubChem (CID 11637672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).