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

C17H16O4 — CID 11808207

IUPAC5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-one
SMILESCOc1ccc2c(c1)C(=O)C(Cc1ccccc1OC)O2
InChIInChI=1S/C17H16O4/c1-19-12-7-8-15-13(10-12)17(18)16(21-15)9-11-5-3-4-6-14(11)20-2/h3-8,10,16H,9H2,1-2H3
InChIKeyCLUODBPCZBWXAA-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.89
Rot. Bonds4

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

5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-one (PubChem CID 11808207) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is 5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-one.

Molecular Properties

Compound Name5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-one
PubChem CID11808207
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-one
SMILESCOc1ccc2c(c1)C(=O)C(Cc1ccccc1OC)O2
InChIInChI=1S/C17H16O4/c1-19-12-7-8-15-13(10-12)17(18)16(21-15)9-11-5-3-4-6-14(11)20-2/h3-8,10,16H,9H2,1-2H3
InChIKeyCLUODBPCZBWXAA-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2,6-dichlorophenyl)methyl]-5-methoxy-1-benzofuran-3-one
CID 129382473
2-chloro-5-methoxy-1-benzofuran-3-one
CID 46187269
6-hydroxy-2-[(2-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one
CID 82228731
(2R)-2-(2,3-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 688727
2-benzyl-5-ethyl-1-benzofuran-3-one
CID 11807146
2-(2,5-dimethoxyphenyl)-7-methoxycyclohepta-2,4,6-trien-1-one
CID 617857
6-methoxy-2-(2-phenylethyl)-2,3-dihydrochromen-4-one
CID 114673944
5-methoxy-1-benzofuran-2,3-dione
CID 153138791
3-[(2-methoxyphenyl)methyl]oxolan-2-one
CID 12025278
7-hydroxy-2-[(2-methoxyphenyl)methyl]-4-prop-2-ynyl-1,4-benzoxazin-3-one
CID 82229404
2-(3,4-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 2922801
4-[(2-methoxyphenyl)methyl]thiolan-3-one
CID 83196911

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-one?
The IUPAC name of 5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-one (CID 11808207) is 5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-one.
What is the SMILES notation for 5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-one?
The canonical SMILES for 5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-one is COc1ccc2c(c1)C(=O)C(Cc1ccccc1OC)O2.
What is the InChIKey of 5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-one?
The InChIKey is CLUODBPCZBWXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-19-12-7-8-15-13(10-12)17(18)16(21-15)9-11-5-3-4-6-14(11)20-2/h3-8,10,16H,9H2,1-2H3.
What are the key properties of 5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-one?
5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-one has a molecular weight of 284.31 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(2-methoxyphenyl)methyl]-1-benzofuran-3-one is sourced from PubChem (CID 11808207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).