[(3R)-2-oxooxolan-3-yl] 2-(4-chlorophenyl)acetate

C12H11ClO4 — CID 8896967

IUPAC[(3R)-2-oxooxolan-3-yl] 2-(4-chlorophenyl)acetate
SMILESO=C(Cc1ccc(Cl)cc1)O[C@@H]1CCOC1=O
InChIInChI=1S/C12H11ClO4/c13-9-3-1-8(2-4-9)7-11(14)17-10-5-6-16-12(10)15/h1-4,10H,5-7H2/t10-/m1/s1
InChIKeyPSSDSIXLPDAYHN-SNVBAGLBSA-N
MW254.67 g/mol
LogP1.74
Rot. Bonds3

About [(3R)-2-oxooxolan-3-yl] 2-(4-chlorophenyl)acetate

[(3R)-2-oxooxolan-3-yl] 2-(4-chlorophenyl)acetate (PubChem CID 8896967) has the molecular formula C12H11ClO4 and a molecular weight of 254.67 g/mol. Its IUPAC name is [(3R)-2-oxooxolan-3-yl] 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name[(3R)-2-oxooxolan-3-yl] 2-(4-chlorophenyl)acetate
PubChem CID8896967
Molecular FormulaC12H11ClO4
Molecular Weight254.67 g/mol
Exact Mass254.03
IUPAC Name[(3R)-2-oxooxolan-3-yl] 2-(4-chlorophenyl)acetate
SMILESO=C(Cc1ccc(Cl)cc1)O[C@@H]1CCOC1=O
InChIInChI=1S/C12H11ClO4/c13-9-3-1-8(2-4-9)7-11(14)17-10-5-6-16-12(10)15/h1-4,10H,5-7H2/t10-/m1/s1
InChIKeyPSSDSIXLPDAYHN-SNVBAGLBSA-N
XLogP1.74
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-2-oxooxolan-3-yl] 2-(4-acetamidophenyl)acetate
CID 8608213
[(3S)-2-oxooxolan-3-yl] 4-chlorobenzoate
CID 2380151
[(3R)-2-oxooxolan-3-yl] 4-(hydroxymethyl)benzoate
CID 2538214
(2-oxooxolan-3-yl) 5-chloro-2-hydroxybenzoate
CID 23824523
[(3S)-2-oxooxolan-3-yl] 2-(2-nitrophenyl)acetate
CID 2373957
bis(4-methylphenyl)-[4-[3-oxo-3-(2-oxooxolan-3-yl)oxypropyl]phenyl]sulfanium
CID 59378990
(2-oxooxolan-3-yl) 3-(4-aminophenoxy)propanoate
CID 61315040
[(3S)-2-oxooxolan-3-yl] 2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 95568775
(2-oxooxolan-3-yl) 5-(4-fluorophenyl)furan-2-carboxylate
CID 42918528
3-prop-1-en-2-yloxyoxolan-2-one
CID 145146780
[(3R)-2-oxooxolan-3-yl] 3-phenothiazin-10-ylpropanoate
CID 2366322
(2-oxooxolan-3-yl) 4-oxo-4-(4-phenylphenyl)butanoate
CID 84885944

Frequently Asked Questions

What is the IUPAC name of [(3R)-2-oxooxolan-3-yl] 2-(4-chlorophenyl)acetate?
The IUPAC name of [(3R)-2-oxooxolan-3-yl] 2-(4-chlorophenyl)acetate (CID 8896967) is [(3R)-2-oxooxolan-3-yl] 2-(4-chlorophenyl)acetate.
What is the SMILES notation for [(3R)-2-oxooxolan-3-yl] 2-(4-chlorophenyl)acetate?
The canonical SMILES for [(3R)-2-oxooxolan-3-yl] 2-(4-chlorophenyl)acetate is O=C(Cc1ccc(Cl)cc1)O[C@@H]1CCOC1=O.
What is the InChIKey of [(3R)-2-oxooxolan-3-yl] 2-(4-chlorophenyl)acetate?
The InChIKey is PSSDSIXLPDAYHN-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H11ClO4/c13-9-3-1-8(2-4-9)7-11(14)17-10-5-6-16-12(10)15/h1-4,10H,5-7H2/t10-/m1/s1.
What are the key properties of [(3R)-2-oxooxolan-3-yl] 2-(4-chlorophenyl)acetate?
[(3R)-2-oxooxolan-3-yl] 2-(4-chlorophenyl)acetate has a molecular weight of 254.67 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2-oxooxolan-3-yl] 2-(4-chlorophenyl)acetate is sourced from PubChem (CID 8896967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).