6-methoxy-5-(4-methoxyphenyl)-1-benzofuran-3-one

C16H14O4 — CID 141411812

IUPAC6-methoxy-5-(4-methoxyphenyl)-1-benzofuran-3-one
SMILESCOc1ccc(-c2cc3c(cc2OC)OCC3=O)cc1
InChIInChI=1S/C16H14O4/c1-18-11-5-3-10(4-6-11)12-7-13-14(17)9-20-16(13)8-15(12)19-2/h3-8H,9H2,1-2H3
InChIKeyGASCIWJWKGWCHZ-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.95
Rot. Bonds3

About 6-methoxy-5-(4-methoxyphenyl)-1-benzofuran-3-one

6-methoxy-5-(4-methoxyphenyl)-1-benzofuran-3-one (PubChem CID 141411812) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 6-methoxy-5-(4-methoxyphenyl)-1-benzofuran-3-one.

Molecular Properties

Compound Name6-methoxy-5-(4-methoxyphenyl)-1-benzofuran-3-one
PubChem CID141411812
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name6-methoxy-5-(4-methoxyphenyl)-1-benzofuran-3-one
SMILESCOc1ccc(-c2cc3c(cc2OC)OCC3=O)cc1
InChIInChI=1S/C16H14O4/c1-18-11-5-3-10(4-6-11)12-7-13-14(17)9-20-16(13)8-15(12)19-2/h3-8H,9H2,1-2H3
InChIKeyGASCIWJWKGWCHZ-UHFFFAOYSA-N
XLogP2.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methoxy-5-(4-methoxyphenyl)-1-benzofuran-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-(4-methoxyphenyl)-1-benzofuran-3-one?
The IUPAC name of 6-methoxy-5-(4-methoxyphenyl)-1-benzofuran-3-one (CID 141411812) is 6-methoxy-5-(4-methoxyphenyl)-1-benzofuran-3-one.
What is the SMILES notation for 6-methoxy-5-(4-methoxyphenyl)-1-benzofuran-3-one?
The canonical SMILES for 6-methoxy-5-(4-methoxyphenyl)-1-benzofuran-3-one is COc1ccc(-c2cc3c(cc2OC)OCC3=O)cc1.
What is the InChIKey of 6-methoxy-5-(4-methoxyphenyl)-1-benzofuran-3-one?
The InChIKey is GASCIWJWKGWCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-18-11-5-3-10(4-6-11)12-7-13-14(17)9-20-16(13)8-15(12)19-2/h3-8H,9H2,1-2H3.
What are the key properties of 6-methoxy-5-(4-methoxyphenyl)-1-benzofuran-3-one?
6-methoxy-5-(4-methoxyphenyl)-1-benzofuran-3-one has a molecular weight of 270.28 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-(4-methoxyphenyl)-1-benzofuran-3-one is sourced from PubChem (CID 141411812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).