3-(4-methoxyphenyl)-3H-2-benzofuran-1-one

C15H12O3 — CID 10955671

IUPAC3-(4-methoxyphenyl)-3H-2-benzofuran-1-one
SMILESCOc1ccc(C2OC(=O)c3ccccc32)cc1
InChIInChI=1S/C15H12O3/c1-17-11-8-6-10(7-9-11)14-12-4-2-3-5-13(12)15(16)18-14/h2-9,14H,1H3
InChIKeyNOAMEKHNBPDNLP-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.95
Rot. Bonds2

About 3-(4-methoxyphenyl)-3H-2-benzofuran-1-one

3-(4-methoxyphenyl)-3H-2-benzofuran-1-one (PubChem CID 10955671) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-3H-2-benzofuran-1-one
PubChem CID10955671
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name3-(4-methoxyphenyl)-3H-2-benzofuran-1-one
SMILESCOc1ccc(C2OC(=O)c3ccccc32)cc1
InChIInChI=1S/C15H12O3/c1-17-11-8-6-10(7-9-11)14-12-4-2-3-5-13(12)15(16)18-14/h2-9,14H,1H3
InChIKeyNOAMEKHNBPDNLP-UHFFFAOYSA-N
XLogP2.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-methoxyphenyl)-6H-benzo[c]chromene
CID 86088499
(3S)-3-phenyl-3H-2-benzofuran-1-one
CID 725855
(3S)-3-(4-chlorophenyl)-3H-2-benzofuran-1-one
CID 738147
3-(3,4,5-trimethoxyphenyl)-3H-2-benzofuran-1-one
CID 59921138
N-tert-butyl-3-(4-methoxyphenyl)-3H-2-benzofuran-1-imine
CID 135002275
2-bromo-6-(4-methoxyphenyl)-6H-benzo[c]chromene
CID 162645614
(2S)-2-(4-methoxyphenyl)chromene-3,4-dione
CID 129410506
5-methoxy-3-(4-pyridin-2-ylphenyl)-3H-2-benzofuran-1-one
CID 11197902
3-[hydroxy-(4-methoxyphenyl)methyl]-3H-2-benzofuran-1-one
CID 3261908
4-hydroxy-6-methoxy-3-(3-oxo-1H-2-benzofuran-1-yl)chromen-2-one
CID 54748924
4-(4-methoxyphenyl)-1,4-dihydrochromeno[3,4-d]pyrazole
CID 133064301
(3S)-3-(2,3-dihydro-1H-inden-5-yl)-3H-2-benzofuran-1-one
CID 1481835

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-3H-2-benzofuran-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-3H-2-benzofuran-1-one (CID 10955671) is 3-(4-methoxyphenyl)-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-3H-2-benzofuran-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-3H-2-benzofuran-1-one is COc1ccc(C2OC(=O)c3ccccc32)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-3H-2-benzofuran-1-one?
The InChIKey is NOAMEKHNBPDNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c1-17-11-8-6-10(7-9-11)14-12-4-2-3-5-13(12)15(16)18-14/h2-9,14H,1H3.
What are the key properties of 3-(4-methoxyphenyl)-3H-2-benzofuran-1-one?
3-(4-methoxyphenyl)-3H-2-benzofuran-1-one has a molecular weight of 240.26 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-3H-2-benzofuran-1-one is sourced from PubChem (CID 10955671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).