(3R)-3-[4-[(1R)-1-hydroxyethyl]phenyl]sulfanyloxolan-2-one

C12H14O3S — CID 95366200

IUPAC(3R)-3-[4-[(1R)-1-hydroxyethyl]phenyl]sulfanyloxolan-2-one
SMILESC[C@@H](O)c1ccc(S[C@@H]2CCOC2=O)cc1
InChIInChI=1S/C12H14O3S/c1-8(13)9-2-4-10(5-3-9)16-11-6-7-15-12(11)14/h2-5,8,11,13H,6-7H2,1H3/t8-,11-/m1/s1
InChIKeyCWVCDNJHJPPAQD-LDYMZIIASA-N
MW238.31 g/mol
LogP2.15
Rot. Bonds3

About (3R)-3-[4-[(1R)-1-hydroxyethyl]phenyl]sulfanyloxolan-2-one

(3R)-3-[4-[(1R)-1-hydroxyethyl]phenyl]sulfanyloxolan-2-one (PubChem CID 95366200) has the molecular formula C12H14O3S and a molecular weight of 238.31 g/mol. Its IUPAC name is (3R)-3-[4-[(1R)-1-hydroxyethyl]phenyl]sulfanyloxolan-2-one.

Molecular Properties

Compound Name(3R)-3-[4-[(1R)-1-hydroxyethyl]phenyl]sulfanyloxolan-2-one
PubChem CID95366200
Molecular FormulaC12H14O3S
Molecular Weight238.31 g/mol
Exact Mass238.07
IUPAC Name(3R)-3-[4-[(1R)-1-hydroxyethyl]phenyl]sulfanyloxolan-2-one
SMILESC[C@@H](O)c1ccc(S[C@@H]2CCOC2=O)cc1
InChIInChI=1S/C12H14O3S/c1-8(13)9-2-4-10(5-3-9)16-11-6-7-15-12(11)14/h2-5,8,11,13H,6-7H2,1H3/t8-,11-/m1/s1
InChIKeyCWVCDNJHJPPAQD-LDYMZIIASA-N
XLogP2.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-[(1R)-1-hydroxyethyl]phenyl]sulfanyloxolan-2-one?
The IUPAC name of (3R)-3-[4-[(1R)-1-hydroxyethyl]phenyl]sulfanyloxolan-2-one (CID 95366200) is (3R)-3-[4-[(1R)-1-hydroxyethyl]phenyl]sulfanyloxolan-2-one.
What is the SMILES notation for (3R)-3-[4-[(1R)-1-hydroxyethyl]phenyl]sulfanyloxolan-2-one?
The canonical SMILES for (3R)-3-[4-[(1R)-1-hydroxyethyl]phenyl]sulfanyloxolan-2-one is C[C@@H](O)c1ccc(S[C@@H]2CCOC2=O)cc1.
What is the InChIKey of (3R)-3-[4-[(1R)-1-hydroxyethyl]phenyl]sulfanyloxolan-2-one?
The InChIKey is CWVCDNJHJPPAQD-LDYMZIIASA-N. The full InChI is InChI=1S/C12H14O3S/c1-8(13)9-2-4-10(5-3-9)16-11-6-7-15-12(11)14/h2-5,8,11,13H,6-7H2,1H3/t8-,11-/m1/s1.
What are the key properties of (3R)-3-[4-[(1R)-1-hydroxyethyl]phenyl]sulfanyloxolan-2-one?
(3R)-3-[4-[(1R)-1-hydroxyethyl]phenyl]sulfanyloxolan-2-one has a molecular weight of 238.31 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-[(1R)-1-hydroxyethyl]phenyl]sulfanyloxolan-2-one is sourced from PubChem (CID 95366200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).