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

C14H9ClO2 — CID 877373

IUPAC(3S)-5-chloro-3-phenyl-3H-1-benzofuran-2-one
SMILESO=C1Oc2ccc(Cl)cc2[C@@H]1c1ccccc1
InChIInChI=1S/C14H9ClO2/c15-10-6-7-12-11(8-10)13(14(16)17-12)9-4-2-1-3-5-9/h1-8,13H/t13-/m0/s1
InChIKeyGEMLLCCRVLWNIW-ZDUSSCGKSA-N
MW244.68 g/mol
LogP3.39
Rot. Bonds1

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

(3S)-5-chloro-3-phenyl-3H-1-benzofuran-2-one (PubChem CID 877373) has the molecular formula C14H9ClO2 and a molecular weight of 244.68 g/mol. Its IUPAC name is (3S)-5-chloro-3-phenyl-3H-1-benzofuran-2-one.

Molecular Properties

Compound Name(3S)-5-chloro-3-phenyl-3H-1-benzofuran-2-one
PubChem CID877373
Molecular FormulaC14H9ClO2
Molecular Weight244.68 g/mol
Exact Mass244.03
IUPAC Name(3S)-5-chloro-3-phenyl-3H-1-benzofuran-2-one
SMILESO=C1Oc2ccc(Cl)cc2[C@@H]1c1ccccc1
InChIInChI=1S/C14H9ClO2/c15-10-6-7-12-11(8-10)13(14(16)17-12)9-4-2-1-3-5-9/h1-8,13H/t13-/m0/s1
InChIKeyGEMLLCCRVLWNIW-ZDUSSCGKSA-N
XLogP3.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S)-5-chloro-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

5-chloro-3-phenyl-3H-1-benzofuran-2-one
CID 2876746
(3S)-5-methyl-3-phenyl-3H-1-benzofuran-2-one
CID 830700
ethane;3-phenyl-3H-1-benzofuran-2-one
CID 91570069
2-[3-(4-chlorophenyl)-2-oxo-3H-1-benzofuran-5-yl]acetic acid
CID 3059739
5-hydroxy-3-(4-hydroxyphenyl)-3H-1-benzofuran-2-one
CID 18957401
6-tert-butyl-3-phenyl-3H-1-benzofuran-2-one
CID 143068570
5-bromo-3-(2,4-dichlorophenyl)-3H-1-benzofuran-2-one
CID 67059910
2-O-(2,6-dimethylphenyl) 1-O-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl) oxalate
CID 86750782
(3R)-3-(4-methylphenyl)-3H-1-benzofuran-2-one
CID 99644827
2,7-dimethyl-9-phenyl-9H-xanthene
CID 22643678
5-chloro-1-methyl-3-phenyl-3H-indol-2-one
CID 56690292
2-chloro-9H-xanthen-9-ol
CID 12734111

Frequently Asked Questions

What is the IUPAC name of (3S)-5-chloro-3-phenyl-3H-1-benzofuran-2-one?
The IUPAC name of (3S)-5-chloro-3-phenyl-3H-1-benzofuran-2-one (CID 877373) is (3S)-5-chloro-3-phenyl-3H-1-benzofuran-2-one.
What is the SMILES notation for (3S)-5-chloro-3-phenyl-3H-1-benzofuran-2-one?
The canonical SMILES for (3S)-5-chloro-3-phenyl-3H-1-benzofuran-2-one is O=C1Oc2ccc(Cl)cc2[C@@H]1c1ccccc1.
What is the InChIKey of (3S)-5-chloro-3-phenyl-3H-1-benzofuran-2-one?
The InChIKey is GEMLLCCRVLWNIW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H9ClO2/c15-10-6-7-12-11(8-10)13(14(16)17-12)9-4-2-1-3-5-9/h1-8,13H/t13-/m0/s1.
What are the key properties of (3S)-5-chloro-3-phenyl-3H-1-benzofuran-2-one?
(3S)-5-chloro-3-phenyl-3H-1-benzofuran-2-one has a molecular weight of 244.68 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-chloro-3-phenyl-3H-1-benzofuran-2-one is sourced from PubChem (CID 877373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).