6-[(4-methylphenyl)methoxy]-3H-2-benzofuran-1-one

C16H14O3 — CID 71559781

IUPAC6-[(4-methylphenyl)methoxy]-3H-2-benzofuran-1-one
SMILESCc1ccc(COc2ccc3c(c2)C(=O)OC3)cc1
InChIInChI=1S/C16H14O3/c1-11-2-4-12(5-3-11)9-18-14-7-6-13-10-19-16(17)15(13)8-14/h2-8H,9-10H2,1H3
InChIKeyRDODSBGONPVBMP-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.24
Rot. Bonds3

About 6-[(4-methylphenyl)methoxy]-3H-2-benzofuran-1-one

6-[(4-methylphenyl)methoxy]-3H-2-benzofuran-1-one (PubChem CID 71559781) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is 6-[(4-methylphenyl)methoxy]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name6-[(4-methylphenyl)methoxy]-3H-2-benzofuran-1-one
PubChem CID71559781
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name6-[(4-methylphenyl)methoxy]-3H-2-benzofuran-1-one
SMILESCc1ccc(COc2ccc3c(c2)C(=O)OC3)cc1
InChIInChI=1S/C16H14O3/c1-11-2-4-12(5-3-11)9-18-14-7-6-13-10-19-16(17)15(13)8-14/h2-8H,9-10H2,1H3
InChIKeyRDODSBGONPVBMP-UHFFFAOYSA-N
XLogP3.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylphenyl)methoxy]-3H-2-benzofuran-1-one?
The IUPAC name of 6-[(4-methylphenyl)methoxy]-3H-2-benzofuran-1-one (CID 71559781) is 6-[(4-methylphenyl)methoxy]-3H-2-benzofuran-1-one.
What is the SMILES notation for 6-[(4-methylphenyl)methoxy]-3H-2-benzofuran-1-one?
The canonical SMILES for 6-[(4-methylphenyl)methoxy]-3H-2-benzofuran-1-one is Cc1ccc(COc2ccc3c(c2)C(=O)OC3)cc1.
What is the InChIKey of 6-[(4-methylphenyl)methoxy]-3H-2-benzofuran-1-one?
The InChIKey is RDODSBGONPVBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-11-2-4-12(5-3-11)9-18-14-7-6-13-10-19-16(17)15(13)8-14/h2-8H,9-10H2,1H3.
What are the key properties of 6-[(4-methylphenyl)methoxy]-3H-2-benzofuran-1-one?
6-[(4-methylphenyl)methoxy]-3H-2-benzofuran-1-one has a molecular weight of 254.28 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylphenyl)methoxy]-3H-2-benzofuran-1-one is sourced from PubChem (CID 71559781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).