(5S)-5-(4-chlorophenyl)-5-[(4-methylphenyl)sulfanylmethyl]oxolan-2-one

C18H17ClO2S — CID 155935561

IUPAC(5S)-5-(4-chlorophenyl)-5-[(4-methylphenyl)sulfanylmethyl]oxolan-2-one
SMILESCc1ccc(SC[C@@]2(c3ccc(Cl)cc3)CCC(=O)O2)cc1
InChIInChI=1S/C18H17ClO2S/c1-13-2-8-16(9-3-13)22-12-18(11-10-17(20)21-18)14-4-6-15(19)7-5-14/h2-9H,10-12H2,1H3/t18-/m1/s1
InChIKeyFZYCSCSHRLQFAP-GOSISDBHSA-N
MW332.85 g/mol
LogP4.97
Rot. Bonds4

About (5S)-5-(4-chlorophenyl)-5-[(4-methylphenyl)sulfanylmethyl]oxolan-2-one

(5S)-5-(4-chlorophenyl)-5-[(4-methylphenyl)sulfanylmethyl]oxolan-2-one (PubChem CID 155935561) has the molecular formula C18H17ClO2S and a molecular weight of 332.85 g/mol. Its IUPAC name is (5S)-5-(4-chlorophenyl)-5-[(4-methylphenyl)sulfanylmethyl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-(4-chlorophenyl)-5-[(4-methylphenyl)sulfanylmethyl]oxolan-2-one
PubChem CID155935561
Molecular FormulaC18H17ClO2S
Molecular Weight332.85 g/mol
Exact Mass332.06
IUPAC Name(5S)-5-(4-chlorophenyl)-5-[(4-methylphenyl)sulfanylmethyl]oxolan-2-one
SMILESCc1ccc(SC[C@@]2(c3ccc(Cl)cc3)CCC(=O)O2)cc1
InChIInChI=1S/C18H17ClO2S/c1-13-2-8-16(9-3-13)22-12-18(11-10-17(20)21-18)14-4-6-15(19)7-5-14/h2-9H,10-12H2,1H3/t18-/m1/s1
InChIKeyFZYCSCSHRLQFAP-GOSISDBHSA-N
XLogP4.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-5-phenyl-5-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]oxolan-2-one
CID 155935564
(4S,5S)-4-(4-methylphenyl)sulfanyl-5-phenyloxolan-2-one
CID 10779430
(5S)-5-[(4-methylphenyl)sulfonylmethyl]-5-phenyloxolan-2-one
CID 122380835
(5R)-5-benzyl-5-(4-chlorophenyl)oxolan-2-one
CID 122380840
(5R)-5-[(2-methylphenyl)sulfanylmethyl]-5-phenyloxolan-2-one
CID 155935566
3-(4-Chlorophenyl)-3-(phenylsulfanylmethyl)-2-benzofuran-1-one
CID 164670080
3-(4-Chlorophenyl)-3-[(4-methylphenyl)sulfanylmethyl]-2-benzofuran-1-one
CID 164670081
(r)-5Phenyl-5-(tosylmethyl)dihydrofuran-2(3h)-one
CID 176490204
3-[1-(4-Chlorophenyl)-1-hydroxy-1-(4-methylthiophenyl)methyl]dihydrofuran-2-one
CID 15839976
(3S,5S)-5-[4-(4-chlorophenyl)phenyl]-3-(phenylsulfanylmethyl)oxolan-2-one
CID 18391474
3-(4-Chlorophenyl)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one
CID 18400177
5-[(4-Chlorophenyl)methoxy]-2-(4-methylphenyl)sulfanylpentanoic acid
CID 19878721

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-chlorophenyl)-5-[(4-methylphenyl)sulfanylmethyl]oxolan-2-one?
The IUPAC name of (5S)-5-(4-chlorophenyl)-5-[(4-methylphenyl)sulfanylmethyl]oxolan-2-one (CID 155935561) is (5S)-5-(4-chlorophenyl)-5-[(4-methylphenyl)sulfanylmethyl]oxolan-2-one.
What is the SMILES notation for (5S)-5-(4-chlorophenyl)-5-[(4-methylphenyl)sulfanylmethyl]oxolan-2-one?
The canonical SMILES for (5S)-5-(4-chlorophenyl)-5-[(4-methylphenyl)sulfanylmethyl]oxolan-2-one is Cc1ccc(SC[C@@]2(c3ccc(Cl)cc3)CCC(=O)O2)cc1.
What is the InChIKey of (5S)-5-(4-chlorophenyl)-5-[(4-methylphenyl)sulfanylmethyl]oxolan-2-one?
The InChIKey is FZYCSCSHRLQFAP-GOSISDBHSA-N. The full InChI is InChI=1S/C18H17ClO2S/c1-13-2-8-16(9-3-13)22-12-18(11-10-17(20)21-18)14-4-6-15(19)7-5-14/h2-9H,10-12H2,1H3/t18-/m1/s1.
What are the key properties of (5S)-5-(4-chlorophenyl)-5-[(4-methylphenyl)sulfanylmethyl]oxolan-2-one?
(5S)-5-(4-chlorophenyl)-5-[(4-methylphenyl)sulfanylmethyl]oxolan-2-one has a molecular weight of 332.85 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-chlorophenyl)-5-[(4-methylphenyl)sulfanylmethyl]oxolan-2-one is sourced from PubChem (CID 155935561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).