(5R)-5-[4-(4-chlorophenyl)phenyl]-3-methyl-3-(phenylsulfanylmethyl)oxolan-2-one

C24H21ClO2S — CID 153230998

IUPAC(5R)-5-[4-(4-chlorophenyl)phenyl]-3-methyl-3-(phenylsulfanylmethyl)oxolan-2-one
SMILESCC1(CSc2ccccc2)C[C@H](c2ccc(-c3ccc(Cl)cc3)cc2)OC1=O
InChIInChI=1S/C24H21ClO2S/c1-24(16-28-21-5-3-2-4-6-21)15-22(27-23(24)26)19-9-7-17(8-10-19)18-11-13-20(25)14-12-18/h2-14,22H,15-16H2,1H3/t22-,24?/m1/s1
InChIKeyWPODSEMGZIUKIT-LETIRJCYSA-N
MW408.95 g/mol
LogP6.79
Rot. Bonds5

About (5R)-5-[4-(4-chlorophenyl)phenyl]-3-methyl-3-(phenylsulfanylmethyl)oxolan-2-one

(5R)-5-[4-(4-chlorophenyl)phenyl]-3-methyl-3-(phenylsulfanylmethyl)oxolan-2-one (PubChem CID 153230998) has the molecular formula C24H21ClO2S and a molecular weight of 408.95 g/mol. Its IUPAC name is (5R)-5-[4-(4-chlorophenyl)phenyl]-3-methyl-3-(phenylsulfanylmethyl)oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[4-(4-chlorophenyl)phenyl]-3-methyl-3-(phenylsulfanylmethyl)oxolan-2-one
PubChem CID153230998
Molecular FormulaC24H21ClO2S
Molecular Weight408.95 g/mol
Exact Mass408.10
IUPAC Name(5R)-5-[4-(4-chlorophenyl)phenyl]-3-methyl-3-(phenylsulfanylmethyl)oxolan-2-one
SMILESCC1(CSc2ccccc2)C[C@H](c2ccc(-c3ccc(Cl)cc3)cc2)OC1=O
InChIInChI=1S/C24H21ClO2S/c1-24(16-28-21-5-3-2-4-6-21)15-22(27-23(24)26)19-9-7-17(8-10-19)18-11-13-20(25)14-12-18/h2-14,22H,15-16H2,1H3/t22-,24?/m1/s1
InChIKeyWPODSEMGZIUKIT-LETIRJCYSA-N
XLogP6.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.95
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-(4-chlorophenyl)phenyl]-3-methyl-3-(phenylsulfanylmethyl)oxolan-2-one?
The IUPAC name of (5R)-5-[4-(4-chlorophenyl)phenyl]-3-methyl-3-(phenylsulfanylmethyl)oxolan-2-one (CID 153230998) is (5R)-5-[4-(4-chlorophenyl)phenyl]-3-methyl-3-(phenylsulfanylmethyl)oxolan-2-one.
What is the SMILES notation for (5R)-5-[4-(4-chlorophenyl)phenyl]-3-methyl-3-(phenylsulfanylmethyl)oxolan-2-one?
The canonical SMILES for (5R)-5-[4-(4-chlorophenyl)phenyl]-3-methyl-3-(phenylsulfanylmethyl)oxolan-2-one is CC1(CSc2ccccc2)C[C@H](c2ccc(-c3ccc(Cl)cc3)cc2)OC1=O.
What is the InChIKey of (5R)-5-[4-(4-chlorophenyl)phenyl]-3-methyl-3-(phenylsulfanylmethyl)oxolan-2-one?
The InChIKey is WPODSEMGZIUKIT-LETIRJCYSA-N. The full InChI is InChI=1S/C24H21ClO2S/c1-24(16-28-21-5-3-2-4-6-21)15-22(27-23(24)26)19-9-7-17(8-10-19)18-11-13-20(25)14-12-18/h2-14,22H,15-16H2,1H3/t22-,24?/m1/s1.
What are the key properties of (5R)-5-[4-(4-chlorophenyl)phenyl]-3-methyl-3-(phenylsulfanylmethyl)oxolan-2-one?
(5R)-5-[4-(4-chlorophenyl)phenyl]-3-methyl-3-(phenylsulfanylmethyl)oxolan-2-one has a molecular weight of 408.95 g/mol, XLogP of 6.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[4-(4-chlorophenyl)phenyl]-3-methyl-3-(phenylsulfanylmethyl)oxolan-2-one is sourced from PubChem (CID 153230998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).