5-methoxy-3-[(4-methoxyphenyl)methyl]-3H-2-benzofuran-1-one

C17H16O4 — CID 132915596

IUPAC5-methoxy-3-[(4-methoxyphenyl)methyl]-3H-2-benzofuran-1-one
SMILESCOc1ccc(CC2OC(=O)c3ccc(OC)cc32)cc1
InChIInChI=1S/C17H16O4/c1-19-12-5-3-11(4-6-12)9-16-15-10-13(20-2)7-8-14(15)17(18)21-16/h3-8,10,16H,9H2,1-2H3
InChIKeyICVIJESXLBYQSI-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.16
Rot. Bonds4

About 5-methoxy-3-[(4-methoxyphenyl)methyl]-3H-2-benzofuran-1-one

5-methoxy-3-[(4-methoxyphenyl)methyl]-3H-2-benzofuran-1-one (PubChem CID 132915596) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is 5-methoxy-3-[(4-methoxyphenyl)methyl]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5-methoxy-3-[(4-methoxyphenyl)methyl]-3H-2-benzofuran-1-one
PubChem CID132915596
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name5-methoxy-3-[(4-methoxyphenyl)methyl]-3H-2-benzofuran-1-one
SMILESCOc1ccc(CC2OC(=O)c3ccc(OC)cc32)cc1
InChIInChI=1S/C17H16O4/c1-19-12-5-3-11(4-6-12)9-16-15-10-13(20-2)7-8-14(15)17(18)21-16/h3-8,10,16H,9H2,1-2H3
InChIKeyICVIJESXLBYQSI-UHFFFAOYSA-N
XLogP3.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[(4-methoxyphenyl)methyl]-3H-2-benzofuran-1-one?
The IUPAC name of 5-methoxy-3-[(4-methoxyphenyl)methyl]-3H-2-benzofuran-1-one (CID 132915596) is 5-methoxy-3-[(4-methoxyphenyl)methyl]-3H-2-benzofuran-1-one.
What is the SMILES notation for 5-methoxy-3-[(4-methoxyphenyl)methyl]-3H-2-benzofuran-1-one?
The canonical SMILES for 5-methoxy-3-[(4-methoxyphenyl)methyl]-3H-2-benzofuran-1-one is COc1ccc(CC2OC(=O)c3ccc(OC)cc32)cc1.
What is the InChIKey of 5-methoxy-3-[(4-methoxyphenyl)methyl]-3H-2-benzofuran-1-one?
The InChIKey is ICVIJESXLBYQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-19-12-5-3-11(4-6-12)9-16-15-10-13(20-2)7-8-14(15)17(18)21-16/h3-8,10,16H,9H2,1-2H3.
What are the key properties of 5-methoxy-3-[(4-methoxyphenyl)methyl]-3H-2-benzofuran-1-one?
5-methoxy-3-[(4-methoxyphenyl)methyl]-3H-2-benzofuran-1-one has a molecular weight of 284.31 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[(4-methoxyphenyl)methyl]-3H-2-benzofuran-1-one is sourced from PubChem (CID 132915596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).