(3S)-3-(4-chlorophenyl)-3H-2-benzofuran-1-one

C14H9ClO2 — CID 738147

IUPAC(3S)-3-(4-chlorophenyl)-3H-2-benzofuran-1-one
SMILESO=C1O[C@@H](c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C14H9ClO2/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(16)17-13/h1-8,13H/t13-/m0/s1
InChIKeySUSCNWIPCFTMMQ-ZDUSSCGKSA-N
MW244.68 g/mol
LogP3.60
Rot. Bonds1

About (3S)-3-(4-chlorophenyl)-3H-2-benzofuran-1-one

(3S)-3-(4-chlorophenyl)-3H-2-benzofuran-1-one (PubChem CID 738147) has the molecular formula C14H9ClO2 and a molecular weight of 244.68 g/mol. Its IUPAC name is (3S)-3-(4-chlorophenyl)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name(3S)-3-(4-chlorophenyl)-3H-2-benzofuran-1-one
PubChem CID738147
Molecular FormulaC14H9ClO2
Molecular Weight244.68 g/mol
Exact Mass244.03
IUPAC Name(3S)-3-(4-chlorophenyl)-3H-2-benzofuran-1-one
SMILESO=C1O[C@@H](c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C14H9ClO2/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(16)17-13/h1-8,13H/t13-/m0/s1
InChIKeySUSCNWIPCFTMMQ-ZDUSSCGKSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-chlorophenyl)-3H-2-benzofuran-1-one?
The IUPAC name of (3S)-3-(4-chlorophenyl)-3H-2-benzofuran-1-one (CID 738147) is (3S)-3-(4-chlorophenyl)-3H-2-benzofuran-1-one.
What is the SMILES notation for (3S)-3-(4-chlorophenyl)-3H-2-benzofuran-1-one?
The canonical SMILES for (3S)-3-(4-chlorophenyl)-3H-2-benzofuran-1-one is O=C1O[C@@H](c2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of (3S)-3-(4-chlorophenyl)-3H-2-benzofuran-1-one?
The InChIKey is SUSCNWIPCFTMMQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H9ClO2/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(16)17-13/h1-8,13H/t13-/m0/s1.
What are the key properties of (3S)-3-(4-chlorophenyl)-3H-2-benzofuran-1-one?
(3S)-3-(4-chlorophenyl)-3H-2-benzofuran-1-one has a molecular weight of 244.68 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-chlorophenyl)-3H-2-benzofuran-1-one is sourced from PubChem (CID 738147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).