(3S)-5-methyl-3-phenyl-3H-1-benzofuran-2-one

C15H12O2 — CID 830700

IUPAC(3S)-5-methyl-3-phenyl-3H-1-benzofuran-2-one
SMILESCc1ccc2c(c1)[C@H](c1ccccc1)C(=O)O2
InChIInChI=1S/C15H12O2/c1-10-7-8-13-12(9-10)14(15(16)17-13)11-5-3-2-4-6-11/h2-9,14H,1H3/t14-/m0/s1
InChIKeyOKEUDFGIAMSXGC-AWEZNQCLSA-N
MW224.26 g/mol
LogP3.05
Rot. Bonds1

About (3S)-5-methyl-3-phenyl-3H-1-benzofuran-2-one

(3S)-5-methyl-3-phenyl-3H-1-benzofuran-2-one (PubChem CID 830700) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is (3S)-5-methyl-3-phenyl-3H-1-benzofuran-2-one.

Molecular Properties

Compound Name(3S)-5-methyl-3-phenyl-3H-1-benzofuran-2-one
PubChem CID830700
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name(3S)-5-methyl-3-phenyl-3H-1-benzofuran-2-one
SMILESCc1ccc2c(c1)[C@H](c1ccccc1)C(=O)O2
InChIInChI=1S/C15H12O2/c1-10-7-8-13-12(9-10)14(15(16)17-13)11-5-3-2-4-6-11/h2-9,14H,1H3/t14-/m0/s1
InChIKeyOKEUDFGIAMSXGC-AWEZNQCLSA-N
XLogP3.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S)-5-methyl-3-phenyl-3H-1-benzofuran-2-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

2,7-dimethyl-9-phenyl-9H-xanthene
CID 22643678
(3S)-5-chloro-3-phenyl-3H-1-benzofuran-2-one
CID 877373
5-chloro-3-phenyl-3H-1-benzofuran-2-one
CID 2876746
(3R)-3-(4-methylphenyl)-3H-1-benzofuran-2-one
CID 99644827
ethane;3-phenyl-3H-1-benzofuran-2-one
CID 91570069
3-(2-methoxy-5-methylphenyl)-5-methyl-3H-1-benzofuran-2-one
CID 20648313
6-tert-butyl-3-phenyl-3H-1-benzofuran-2-one
CID 143068570
2-O-(2,6-dimethylphenyl) 1-O-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl) oxalate
CID 86750782
5-hydroxy-3-(4-hydroxyphenyl)-3H-1-benzofuran-2-one
CID 18957401
7-[(2-hydroxy-3,5-dimethylphenyl)methyl]-5-methyl-3-phenyl-3H-1-benzofuran-2-one
CID 58982777
[(Z)-(6-methyl-3-methylidene-4-phenyl-4H-chromen-2-ylidene)methyl]-tri(propan-2-yl)silane
CID 132539739
5-methyl-3-phenylchromene-2,4-dione
CID 129303785

Frequently Asked Questions

What is the IUPAC name of (3S)-5-methyl-3-phenyl-3H-1-benzofuran-2-one?
The IUPAC name of (3S)-5-methyl-3-phenyl-3H-1-benzofuran-2-one (CID 830700) is (3S)-5-methyl-3-phenyl-3H-1-benzofuran-2-one.
What is the SMILES notation for (3S)-5-methyl-3-phenyl-3H-1-benzofuran-2-one?
The canonical SMILES for (3S)-5-methyl-3-phenyl-3H-1-benzofuran-2-one is Cc1ccc2c(c1)[C@H](c1ccccc1)C(=O)O2.
What is the InChIKey of (3S)-5-methyl-3-phenyl-3H-1-benzofuran-2-one?
The InChIKey is OKEUDFGIAMSXGC-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H12O2/c1-10-7-8-13-12(9-10)14(15(16)17-13)11-5-3-2-4-6-11/h2-9,14H,1H3/t14-/m0/s1.
What are the key properties of (3S)-5-methyl-3-phenyl-3H-1-benzofuran-2-one?
(3S)-5-methyl-3-phenyl-3H-1-benzofuran-2-one has a molecular weight of 224.26 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-methyl-3-phenyl-3H-1-benzofuran-2-one is sourced from PubChem (CID 830700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).