(3R)-3-(4-hydroxyanilino)-3-phenyl-2-benzofuran-1-one

C20H15NO3 — CID 779674

IUPAC(3R)-3-(4-hydroxyanilino)-3-phenyl-2-benzofuran-1-one
SMILESO=C1O[C@](Nc2ccc(O)cc2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C20H15NO3/c22-16-12-10-15(11-13-16)21-20(14-6-2-1-3-7-14)18-9-5-4-8-17(18)19(23)24-20/h1-13,21-22H/t20-/m1/s1
InChIKeyUFYHQVLIPONHFG-HXUWFJFHSA-N
MW317.34 g/mol
LogP3.88
Rot. Bonds3

About (3R)-3-(4-hydroxyanilino)-3-phenyl-2-benzofuran-1-one

(3R)-3-(4-hydroxyanilino)-3-phenyl-2-benzofuran-1-one (PubChem CID 779674) has the molecular formula C20H15NO3 and a molecular weight of 317.34 g/mol. Its IUPAC name is (3R)-3-(4-hydroxyanilino)-3-phenyl-2-benzofuran-1-one.

Molecular Properties

Compound Name(3R)-3-(4-hydroxyanilino)-3-phenyl-2-benzofuran-1-one
PubChem CID779674
Molecular FormulaC20H15NO3
Molecular Weight317.34 g/mol
Exact Mass317.11
IUPAC Name(3R)-3-(4-hydroxyanilino)-3-phenyl-2-benzofuran-1-one
SMILESO=C1O[C@](Nc2ccc(O)cc2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C20H15NO3/c22-16-12-10-15(11-13-16)21-20(14-6-2-1-3-7-14)18-9-5-4-8-17(18)19(23)24-20/h1-13,21-22H/t20-/m1/s1
InChIKeyUFYHQVLIPONHFG-HXUWFJFHSA-N
XLogP3.88
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze (3R)-3-(4-hydroxyanilino)-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

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-hydroxyanilino)-3-phenyl-2-benzofuran-1-one?
The IUPAC name of (3R)-3-(4-hydroxyanilino)-3-phenyl-2-benzofuran-1-one (CID 779674) is (3R)-3-(4-hydroxyanilino)-3-phenyl-2-benzofuran-1-one.
What is the SMILES notation for (3R)-3-(4-hydroxyanilino)-3-phenyl-2-benzofuran-1-one?
The canonical SMILES for (3R)-3-(4-hydroxyanilino)-3-phenyl-2-benzofuran-1-one is O=C1O[C@](Nc2ccc(O)cc2)(c2ccccc2)c2ccccc21.
What is the InChIKey of (3R)-3-(4-hydroxyanilino)-3-phenyl-2-benzofuran-1-one?
The InChIKey is UFYHQVLIPONHFG-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H15NO3/c22-16-12-10-15(11-13-16)21-20(14-6-2-1-3-7-14)18-9-5-4-8-17(18)19(23)24-20/h1-13,21-22H/t20-/m1/s1.
What are the key properties of (3R)-3-(4-hydroxyanilino)-3-phenyl-2-benzofuran-1-one?
(3R)-3-(4-hydroxyanilino)-3-phenyl-2-benzofuran-1-one has a molecular weight of 317.34 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-hydroxyanilino)-3-phenyl-2-benzofuran-1-one is sourced from PubChem (CID 779674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).