(6S)-6-(2-chlorophenyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one

C15H13ClO2 — CID 129386569

IUPAC(6S)-6-(2-chlorophenyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one
SMILESCc1coc2c1C(=O)C[C@@H](c1ccccc1Cl)C2
InChIInChI=1S/C15H13ClO2/c1-9-8-18-14-7-10(6-13(17)15(9)14)11-4-2-3-5-12(11)16/h2-5,8,10H,6-7H2,1H3/t10-/m1/s1
InChIKeyVROYGMWSXVLLAJ-SNVBAGLBSA-N
MW260.72 g/mol
LogP4.15
Rot. Bonds1

About (6S)-6-(2-chlorophenyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one

(6S)-6-(2-chlorophenyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one (PubChem CID 129386569) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is (6S)-6-(2-chlorophenyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one.

Molecular Properties

Compound Name(6S)-6-(2-chlorophenyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one
PubChem CID129386569
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name(6S)-6-(2-chlorophenyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one
SMILESCc1coc2c1C(=O)C[C@@H](c1ccccc1Cl)C2
InChIInChI=1S/C15H13ClO2/c1-9-8-18-14-7-10(6-13(17)15(9)14)11-4-2-3-5-12(11)16/h2-5,8,10H,6-7H2,1H3/t10-/m1/s1
InChIKeyVROYGMWSXVLLAJ-SNVBAGLBSA-N
XLogP4.15
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(hydroxymethyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one
CID 82409164
(2R)-2-(2-chlorophenyl)-5-methyl-2,3-dihydrochromen-4-one
CID 129388523
6-(2-chlorophenyl)-3-methyl-2-(2-phenylpropyl)-6,7-dihydro-5H-indazol-4-one
CID 18317626
(4S,7R)-7-(2-chlorophenyl)-4-(2-methylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 40645102
4-(2-chlorophenyl)cyclohexan-1-one
CID 19705258
4-(2-chlorophenyl)oxolan-2-one
CID 12862869
ethyl 6-(2-chlorophenyl)-4-oxo-3-phenyl-1,5,6,7-tetrahydroindole-2-carboxylate
CID 17285660
ethyl 6-(2-chlorophenyl)-4-oxo-3-propyl-1,5,6,7-tetrahydroindole-2-carboxylate
CID 17285587
(5S)-3-amino-5-(2-chlorophenyl)cyclohex-2-en-1-one
CID 11287482
(4R)-4-(2-chlorophenyl)-2,2-dimethylcyclopentan-1-one
CID 125498764
2-phenoxyethyl (6S)-6-(2-chlorophenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
CID 40774588
(6S,9S)-9-(2-chlorophenyl)-6-(6-methyl-4-oxochromen-3-yl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 40733120

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(2-chlorophenyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one?
The IUPAC name of (6S)-6-(2-chlorophenyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one (CID 129386569) is (6S)-6-(2-chlorophenyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one.
What is the SMILES notation for (6S)-6-(2-chlorophenyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one?
The canonical SMILES for (6S)-6-(2-chlorophenyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one is Cc1coc2c1C(=O)C[C@@H](c1ccccc1Cl)C2.
What is the InChIKey of (6S)-6-(2-chlorophenyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one?
The InChIKey is VROYGMWSXVLLAJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H13ClO2/c1-9-8-18-14-7-10(6-13(17)15(9)14)11-4-2-3-5-12(11)16/h2-5,8,10H,6-7H2,1H3/t10-/m1/s1.
What are the key properties of (6S)-6-(2-chlorophenyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one?
(6S)-6-(2-chlorophenyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one has a molecular weight of 260.72 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(2-chlorophenyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one is sourced from PubChem (CID 129386569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).