3-hydroxy-3-phenyl-2-benzofuran-1-one

C14H10O3 — CID 12677389

IUPAC3-hydroxy-3-phenyl-2-benzofuran-1-one
SMILESO=C1OC(O)(c2ccccc2)c2ccccc21
InChIInChI=1S/C14H10O3/c15-13-11-8-4-5-9-12(11)14(16,17-13)10-6-2-1-3-7-10/h1-9,16H
InChIKeyVRYAMVCPMCBPOJ-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.05
Rot. Bonds1

About 3-hydroxy-3-phenyl-2-benzofuran-1-one

3-hydroxy-3-phenyl-2-benzofuran-1-one (PubChem CID 12677389) has the molecular formula C14H10O3 and a molecular weight of 226.23 g/mol. Its IUPAC name is 3-hydroxy-3-phenyl-2-benzofuran-1-one.

Molecular Properties

Compound Name3-hydroxy-3-phenyl-2-benzofuran-1-one
PubChem CID12677389
Molecular FormulaC14H10O3
Molecular Weight226.23 g/mol
Exact Mass226.06
IUPAC Name3-hydroxy-3-phenyl-2-benzofuran-1-one
SMILESO=C1OC(O)(c2ccccc2)c2ccccc21
InChIInChI=1S/C14H10O3/c15-13-11-8-4-5-9-12(11)14(16,17-13)10-6-2-1-3-7-10/h1-9,16H
InChIKeyVRYAMVCPMCBPOJ-UHFFFAOYSA-N
XLogP2.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-3-phenyl-2-benzofuran-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-3-pyridin-2-yl-2-benzofuran-1-one
CID 14915521
1-hydroxy-3-methyl-1-phenyl-2,3-benzoxazin-4-one
CID 56695228
3-hydroxy-3-(4-methyl-3-nitrophenyl)-2-benzofuran-1-one
CID 71322707
(3S)-3-methoxy-3-phenyl-2-benzofuran-1-one
CID 1224663
3-chloro-3-iodo-2-benzofuran-1-one
CID 121481458
(3R)-3-(4-hydroxyanilino)-3-phenyl-2-benzofuran-1-one
CID 779674
3-(2-aminoethyl)-3-phenyl-2-benzofuran-1-one
CID 24971517
3,3-bis(3-hydroxyphenyl)-2-benzofuran-1-one
CID 59806850
4-(6-tert-butyl-1-hydroxy-3-oxo-2-benzofuran-1-yl)benzoic acid
CID 23735765
1,1,3,3-tetramethyl-2-(3-oxo-1-phenyl-2-benzofuran-1-yl)guanidine
CID 177459965
3-[di(propan-2-yl)amino]-3-phenyl-2-benzofuran-1-one
CID 13221616
3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-hydroxy-2-benzofuran-1-one
CID 102111028

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-phenyl-2-benzofuran-1-one?
The IUPAC name of 3-hydroxy-3-phenyl-2-benzofuran-1-one (CID 12677389) is 3-hydroxy-3-phenyl-2-benzofuran-1-one.
What is the SMILES notation for 3-hydroxy-3-phenyl-2-benzofuran-1-one?
The canonical SMILES for 3-hydroxy-3-phenyl-2-benzofuran-1-one is O=C1OC(O)(c2ccccc2)c2ccccc21.
What is the InChIKey of 3-hydroxy-3-phenyl-2-benzofuran-1-one?
The InChIKey is VRYAMVCPMCBPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3/c15-13-11-8-4-5-9-12(11)14(16,17-13)10-6-2-1-3-7-10/h1-9,16H.
What are the key properties of 3-hydroxy-3-phenyl-2-benzofuran-1-one?
3-hydroxy-3-phenyl-2-benzofuran-1-one has a molecular weight of 226.23 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-phenyl-2-benzofuran-1-one is sourced from PubChem (CID 12677389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).