(5R)-5-[(2-methylphenyl)sulfanylmethyl]-5-phenyloxolan-2-one

C18H18O2S — CID 155935566

IUPAC(5R)-5-[(2-methylphenyl)sulfanylmethyl]-5-phenyloxolan-2-one
SMILESCc1ccccc1SC[C@]1(c2ccccc2)CCC(=O)O1
InChIInChI=1S/C18H18O2S/c1-14-7-5-6-10-16(14)21-13-18(12-11-17(19)20-18)15-8-3-2-4-9-15/h2-10H,11-13H2,1H3/t18-/m0/s1
InChIKeyBEXCPSSXOJHIIX-SFHVURJKSA-N
MW298.41 g/mol
LogP4.32
Rot. Bonds4

About (5R)-5-[(2-methylphenyl)sulfanylmethyl]-5-phenyloxolan-2-one

(5R)-5-[(2-methylphenyl)sulfanylmethyl]-5-phenyloxolan-2-one (PubChem CID 155935566) has the molecular formula C18H18O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is (5R)-5-[(2-methylphenyl)sulfanylmethyl]-5-phenyloxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[(2-methylphenyl)sulfanylmethyl]-5-phenyloxolan-2-one
PubChem CID155935566
Molecular FormulaC18H18O2S
Molecular Weight298.41 g/mol
Exact Mass298.10
IUPAC Name(5R)-5-[(2-methylphenyl)sulfanylmethyl]-5-phenyloxolan-2-one
SMILESCc1ccccc1SC[C@]1(c2ccccc2)CCC(=O)O1
InChIInChI=1S/C18H18O2S/c1-14-7-5-6-10-16(14)21-13-18(12-11-17(19)20-18)15-8-3-2-4-9-15/h2-10H,11-13H2,1H3/t18-/m0/s1
InChIKeyBEXCPSSXOJHIIX-SFHVURJKSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(2-methylphenyl)sulfanylmethyl]-5-phenyloxolan-2-one?
The IUPAC name of (5R)-5-[(2-methylphenyl)sulfanylmethyl]-5-phenyloxolan-2-one (CID 155935566) is (5R)-5-[(2-methylphenyl)sulfanylmethyl]-5-phenyloxolan-2-one.
What is the SMILES notation for (5R)-5-[(2-methylphenyl)sulfanylmethyl]-5-phenyloxolan-2-one?
The canonical SMILES for (5R)-5-[(2-methylphenyl)sulfanylmethyl]-5-phenyloxolan-2-one is Cc1ccccc1SC[C@]1(c2ccccc2)CCC(=O)O1.
What is the InChIKey of (5R)-5-[(2-methylphenyl)sulfanylmethyl]-5-phenyloxolan-2-one?
The InChIKey is BEXCPSSXOJHIIX-SFHVURJKSA-N. The full InChI is InChI=1S/C18H18O2S/c1-14-7-5-6-10-16(14)21-13-18(12-11-17(19)20-18)15-8-3-2-4-9-15/h2-10H,11-13H2,1H3/t18-/m0/s1.
What are the key properties of (5R)-5-[(2-methylphenyl)sulfanylmethyl]-5-phenyloxolan-2-one?
(5R)-5-[(2-methylphenyl)sulfanylmethyl]-5-phenyloxolan-2-one has a molecular weight of 298.41 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(2-methylphenyl)sulfanylmethyl]-5-phenyloxolan-2-one is sourced from PubChem (CID 155935566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).