3-benzyl-3-methoxy-2-benzofuran-1-one

C16H14O3 — CID 12637272

IUPAC3-benzyl-3-methoxy-2-benzofuran-1-one
SMILESCOC1(Cc2ccccc2)OC(=O)c2ccccc21
InChIInChI=1S/C16H14O3/c1-18-16(11-12-7-3-2-4-8-12)14-10-6-5-9-13(14)15(17)19-16/h2-10H,11H2,1H3
InChIKeyPMZDLXATEGZIQI-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.90
Rot. Bonds3

About 3-benzyl-3-methoxy-2-benzofuran-1-one

3-benzyl-3-methoxy-2-benzofuran-1-one (PubChem CID 12637272) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-benzyl-3-methoxy-2-benzofuran-1-one.

Molecular Properties

Compound Name3-benzyl-3-methoxy-2-benzofuran-1-one
PubChem CID12637272
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Name3-benzyl-3-methoxy-2-benzofuran-1-one
SMILESCOC1(Cc2ccccc2)OC(=O)c2ccccc21
InChIInChI=1S/C16H14O3/c1-18-16(11-12-7-3-2-4-8-12)14-10-6-5-9-13(14)15(17)19-16/h2-10H,11H2,1H3
InChIKeyPMZDLXATEGZIQI-UHFFFAOYSA-N
XLogP2.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3-methoxy-2-benzofuran-1-one?
The IUPAC name of 3-benzyl-3-methoxy-2-benzofuran-1-one (CID 12637272) is 3-benzyl-3-methoxy-2-benzofuran-1-one.
What is the SMILES notation for 3-benzyl-3-methoxy-2-benzofuran-1-one?
The canonical SMILES for 3-benzyl-3-methoxy-2-benzofuran-1-one is COC1(Cc2ccccc2)OC(=O)c2ccccc21.
What is the InChIKey of 3-benzyl-3-methoxy-2-benzofuran-1-one?
The InChIKey is PMZDLXATEGZIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-18-16(11-12-7-3-2-4-8-12)14-10-6-5-9-13(14)15(17)19-16/h2-10H,11H2,1H3.
What are the key properties of 3-benzyl-3-methoxy-2-benzofuran-1-one?
3-benzyl-3-methoxy-2-benzofuran-1-one has a molecular weight of 254.29 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-methoxy-2-benzofuran-1-one is sourced from PubChem (CID 12637272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).