2-(4-hydroxyphenyl)-4-methoxy-1-benzofuran-3-one

C15H12O4 — CID 141074039

IUPAC2-(4-hydroxyphenyl)-4-methoxy-1-benzofuran-3-one
SMILESCOc1cccc2c1C(=O)C(c1ccc(O)cc1)O2
InChIInChI=1S/C15H12O4/c1-18-11-3-2-4-12-13(11)14(17)15(19-12)9-5-7-10(16)8-6-9/h2-8,15-16H,1H3
InChIKeyJMQIIZFOOHROEN-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.72
Rot. Bonds2

About 2-(4-hydroxyphenyl)-4-methoxy-1-benzofuran-3-one

2-(4-hydroxyphenyl)-4-methoxy-1-benzofuran-3-one (PubChem CID 141074039) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-4-methoxy-1-benzofuran-3-one.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-4-methoxy-1-benzofuran-3-one
PubChem CID141074039
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name2-(4-hydroxyphenyl)-4-methoxy-1-benzofuran-3-one
SMILESCOc1cccc2c1C(=O)C(c1ccc(O)cc1)O2
InChIInChI=1S/C15H12O4/c1-18-11-3-2-4-12-13(11)14(17)15(19-12)9-5-7-10(16)8-6-9/h2-8,15-16H,1H3
InChIKeyJMQIIZFOOHROEN-UHFFFAOYSA-N
XLogP2.72
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-6-phenyl-6H-benzo[c]chromen-8-amine
CID 18189209
3,7-dihydroxy-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one
CID 14794882
(2S,3S)-3-hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 154496184
(2R,3R)-3-hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 10403456
(2R,3R)-3-hydroxy-2-(4-hydroxyphenyl)-5,6,7-trimethoxy-2,3-dihydrochromen-4-one
CID 44575071
ethane;5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-2,3-dihydrochromen-4-one
CID 169180213
(2S)-5-methoxy-2-methyl-2,3-dihydrochromen-4-one
CID 155907329
(2R)-5-methoxy-2-methyl-2,3-dihydrochromen-4-one
CID 5316661
1-methoxy-N-methyl-N,6-diphenyl-6H-benzo[c]chromen-8-amine
CID 70026573
[1-methoxy-6-(4-methylphenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18189177
(2S)-2-(4-methoxyphenyl)chromene-3,4-dione
CID 129410506
(2S,3R)-3-[(2R,3R)-5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 124870899

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-4-methoxy-1-benzofuran-3-one?
The IUPAC name of 2-(4-hydroxyphenyl)-4-methoxy-1-benzofuran-3-one (CID 141074039) is 2-(4-hydroxyphenyl)-4-methoxy-1-benzofuran-3-one.
What is the SMILES notation for 2-(4-hydroxyphenyl)-4-methoxy-1-benzofuran-3-one?
The canonical SMILES for 2-(4-hydroxyphenyl)-4-methoxy-1-benzofuran-3-one is COc1cccc2c1C(=O)C(c1ccc(O)cc1)O2.
What is the InChIKey of 2-(4-hydroxyphenyl)-4-methoxy-1-benzofuran-3-one?
The InChIKey is JMQIIZFOOHROEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4/c1-18-11-3-2-4-12-13(11)14(17)15(19-12)9-5-7-10(16)8-6-9/h2-8,15-16H,1H3.
What are the key properties of 2-(4-hydroxyphenyl)-4-methoxy-1-benzofuran-3-one?
2-(4-hydroxyphenyl)-4-methoxy-1-benzofuran-3-one has a molecular weight of 256.26 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-4-methoxy-1-benzofuran-3-one is sourced from PubChem (CID 141074039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).