1,3-dichloro-1,3-bis(4-chlorophenyl)propan-2-one

C15H10Cl4O — CID 151410924

IUPAC1,3-dichloro-1,3-bis(4-chlorophenyl)propan-2-one
SMILESO=C(C(Cl)c1ccc(Cl)cc1)C(Cl)c1ccc(Cl)cc1
InChIInChI=1S/C15H10Cl4O/c16-11-5-1-9(2-6-11)13(18)15(20)14(19)10-3-7-12(17)8-4-10/h1-8,13-14H
InChIKeyOYMUENGMHZPJKQ-UHFFFAOYSA-N
MW348.06 g/mol
LogP5.82
Rot. Bonds4

About 1,3-dichloro-1,3-bis(4-chlorophenyl)propan-2-one

1,3-dichloro-1,3-bis(4-chlorophenyl)propan-2-one (PubChem CID 151410924) has the molecular formula C15H10Cl4O and a molecular weight of 348.06 g/mol. Its IUPAC name is 1,3-dichloro-1,3-bis(4-chlorophenyl)propan-2-one.

Molecular Properties

Compound Name1,3-dichloro-1,3-bis(4-chlorophenyl)propan-2-one
PubChem CID151410924
Molecular FormulaC15H10Cl4O
Molecular Weight348.06 g/mol
Exact Mass345.95
IUPAC Name1,3-dichloro-1,3-bis(4-chlorophenyl)propan-2-one
SMILESO=C(C(Cl)c1ccc(Cl)cc1)C(Cl)c1ccc(Cl)cc1
InChIInChI=1S/C15H10Cl4O/c16-11-5-1-9(2-6-11)13(18)15(20)14(19)10-3-7-12(17)8-4-10/h1-8,13-14H
InChIKeyOYMUENGMHZPJKQ-UHFFFAOYSA-N
XLogP5.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.06
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1,3-dichloro-1,3-bis(4-chlorophenyl)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-2-(4-chlorophenyl)-1-phenylethanone
CID 14247251
2-chloro-2-(4-chlorophenyl)-N,N-diethylacetamide
CID 62225355
N-[4-[3-(4-acetamidophenyl)-1,3-dichloro-2-oxopropyl]phenyl]acetamide
CID 139644819
2-chloro-2-(4-chlorophenyl)-1-piperidin-1-ylethanone
CID 55047963
(2S)-2-(4-chlorophenyl)-2-hydroxyacetic acid
CID 785083
2-chloro-1-(4-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 88827170
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-2-phenylacetamide
CID 81352338
azane;(2R)-2-(4-chlorophenyl)-3-methylbutanoic acid
CID 70402898
1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 588012
2-(4-chlorophenyl)-3-methylbutanethioic S-acid
CID 12774585
(3S)-3-(4-chlorophenyl)butan-2-one
CID 94841773
1-(4-chlorophenyl)-1-sulfanylpropan-2-one
CID 163571733

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-1,3-bis(4-chlorophenyl)propan-2-one?
The IUPAC name of 1,3-dichloro-1,3-bis(4-chlorophenyl)propan-2-one (CID 151410924) is 1,3-dichloro-1,3-bis(4-chlorophenyl)propan-2-one.
What is the SMILES notation for 1,3-dichloro-1,3-bis(4-chlorophenyl)propan-2-one?
The canonical SMILES for 1,3-dichloro-1,3-bis(4-chlorophenyl)propan-2-one is O=C(C(Cl)c1ccc(Cl)cc1)C(Cl)c1ccc(Cl)cc1.
What is the InChIKey of 1,3-dichloro-1,3-bis(4-chlorophenyl)propan-2-one?
The InChIKey is OYMUENGMHZPJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl4O/c16-11-5-1-9(2-6-11)13(18)15(20)14(19)10-3-7-12(17)8-4-10/h1-8,13-14H.
What are the key properties of 1,3-dichloro-1,3-bis(4-chlorophenyl)propan-2-one?
1,3-dichloro-1,3-bis(4-chlorophenyl)propan-2-one has a molecular weight of 348.06 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-1,3-bis(4-chlorophenyl)propan-2-one is sourced from PubChem (CID 151410924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).