(4-chlorophenyl)-[3-(4-chlorophenyl)oxiran-2-yl]methanone

C15H10Cl2O2 — CID 15313513

IUPAC(4-chlorophenyl)-[3-(4-chlorophenyl)oxiran-2-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)C1OC1c1ccc(Cl)cc1
InChIInChI=1S/C15H10Cl2O2/c16-11-5-1-9(2-6-11)13(18)15-14(19-15)10-3-7-12(17)8-4-10/h1-8,14-15H
InChIKeyRJGVGRYVHMASDY-UHFFFAOYSA-N
MW293.15 g/mol
LogP4.32
Rot. Bonds3

About (4-chlorophenyl)-[3-(4-chlorophenyl)oxiran-2-yl]methanone

(4-chlorophenyl)-[3-(4-chlorophenyl)oxiran-2-yl]methanone (PubChem CID 15313513) has the molecular formula C15H10Cl2O2 and a molecular weight of 293.15 g/mol. Its IUPAC name is (4-chlorophenyl)-[3-(4-chlorophenyl)oxiran-2-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[3-(4-chlorophenyl)oxiran-2-yl]methanone
PubChem CID15313513
Molecular FormulaC15H10Cl2O2
Molecular Weight293.15 g/mol
Exact Mass292.01
IUPAC Name(4-chlorophenyl)-[3-(4-chlorophenyl)oxiran-2-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)C1OC1c1ccc(Cl)cc1
InChIInChI=1S/C15H10Cl2O2/c16-11-5-1-9(2-6-11)13(18)15-14(19-15)10-3-7-12(17)8-4-10/h1-8,14-15H
InChIKeyRJGVGRYVHMASDY-UHFFFAOYSA-N
XLogP4.32
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 54.32
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

CID 92219
CID 92219
CID 162531
CID 162531
CID 69923
CID 69923
CID 728562
CID 728562
CID 179495
CID 179495
CID 2731440
CID 2731440
CID 219286
CID 219286
CID 13548305
CID 13548305
CID 74823
CID 74823
CID 347939
CID 347939
CID 3142215
CID 3142215
CID 3602063
CID 3602063

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[3-(4-chlorophenyl)oxiran-2-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[3-(4-chlorophenyl)oxiran-2-yl]methanone (CID 15313513) is (4-chlorophenyl)-[3-(4-chlorophenyl)oxiran-2-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[3-(4-chlorophenyl)oxiran-2-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[3-(4-chlorophenyl)oxiran-2-yl]methanone is O=C(c1ccc(Cl)cc1)C1OC1c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-[3-(4-chlorophenyl)oxiran-2-yl]methanone?
The InChIKey is RJGVGRYVHMASDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2O2/c16-11-5-1-9(2-6-11)13(18)15-14(19-15)10-3-7-12(17)8-4-10/h1-8,14-15H.
What are the key properties of (4-chlorophenyl)-[3-(4-chlorophenyl)oxiran-2-yl]methanone?
(4-chlorophenyl)-[3-(4-chlorophenyl)oxiran-2-yl]methanone has a molecular weight of 293.15 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[3-(4-chlorophenyl)oxiran-2-yl]methanone is sourced from PubChem (CID 15313513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).