[(2S,3R)-3-(4-chlorophenyl)oxiran-2-yl]-phenylmethanone

C15H11ClO2 — CID 1476949

IUPAC[(2S,3R)-3-(4-chlorophenyl)oxiran-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@H]1O[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClO2/c16-12-8-6-11(7-9-12)14-15(18-14)13(17)10-4-2-1-3-5-10/h1-9,14-15H/t14-,15-/m1/s1
InChIKeyQZHVIBAUHZWGCS-HUUCEWRRSA-N
MW258.70 g/mol
LogP3.66
Rot. Bonds3

About [(2S,3R)-3-(4-chlorophenyl)oxiran-2-yl]-phenylmethanone

[(2S,3R)-3-(4-chlorophenyl)oxiran-2-yl]-phenylmethanone (PubChem CID 1476949) has the molecular formula C15H11ClO2 and a molecular weight of 258.70 g/mol. Its IUPAC name is [(2S,3R)-3-(4-chlorophenyl)oxiran-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2S,3R)-3-(4-chlorophenyl)oxiran-2-yl]-phenylmethanone
PubChem CID1476949
Molecular FormulaC15H11ClO2
Molecular Weight258.70 g/mol
Exact Mass258.04
IUPAC Name[(2S,3R)-3-(4-chlorophenyl)oxiran-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@H]1O[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClO2/c16-12-8-6-11(7-9-12)14-15(18-14)13(17)10-4-2-1-3-5-10/h1-9,14-15H/t14-,15-/m1/s1
InChIKeyQZHVIBAUHZWGCS-HUUCEWRRSA-N
XLogP3.66
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

Chalcone epoxide
CID 92219
4-Fluorochalcone oxide
CID 162531
rac-(2R,3S)-2-benzoyl-3-phenyloxirane
CID 728562
Propiophenone, 3-(p-chlorophenyl)-2,3-epoxy-4'-methoxy-
CID 179495
3-(2-(4-Chlorophenyl)-2-oxoethyl)-1(3H)-isobenzofuranone
CID 2731440
1,2-Bis(4-chlorophenyl)-2-hydroxyethanone
CID 219286
4-Chlorobenzoin
CID 13548305
4-Chlorobenzyl benzoate
CID 74823
4-Chlorobenzoic acid, benzyl ester
CID 347939
3'-(4-Chlorophenyl)spiro[indene-2,2'-oxirane]-1,3-dione
CID 3142215
(2-Oxo-1,2-diphenylethyl) 4-chlorobenzoate
CID 3602063
[(E)-2-benzoyl-3-(4-chlorophenyl)prop-2-enyl] acetate
CID 76317107

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-(4-chlorophenyl)oxiran-2-yl]-phenylmethanone?
The IUPAC name of [(2S,3R)-3-(4-chlorophenyl)oxiran-2-yl]-phenylmethanone (CID 1476949) is [(2S,3R)-3-(4-chlorophenyl)oxiran-2-yl]-phenylmethanone.
What is the SMILES notation for [(2S,3R)-3-(4-chlorophenyl)oxiran-2-yl]-phenylmethanone?
The canonical SMILES for [(2S,3R)-3-(4-chlorophenyl)oxiran-2-yl]-phenylmethanone is O=C(c1ccccc1)[C@H]1O[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of [(2S,3R)-3-(4-chlorophenyl)oxiran-2-yl]-phenylmethanone?
The InChIKey is QZHVIBAUHZWGCS-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H11ClO2/c16-12-8-6-11(7-9-12)14-15(18-14)13(17)10-4-2-1-3-5-10/h1-9,14-15H/t14-,15-/m1/s1.
What are the key properties of [(2S,3R)-3-(4-chlorophenyl)oxiran-2-yl]-phenylmethanone?
[(2S,3R)-3-(4-chlorophenyl)oxiran-2-yl]-phenylmethanone has a molecular weight of 258.70 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-(4-chlorophenyl)oxiran-2-yl]-phenylmethanone is sourced from PubChem (CID 1476949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).