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

C15H10Cl4O — CID 172741718

IUPAC1,3-dichloro-1,3-bis(2-chlorophenyl)propan-2-one
SMILESO=C(C(Cl)c1ccccc1Cl)C(Cl)c1ccccc1Cl
InChIInChI=1S/C15H10Cl4O/c16-11-7-3-1-5-9(11)13(18)15(20)14(19)10-6-2-4-8-12(10)17/h1-8,13-14H
InChIKeyJELYNOYUUWQZGM-UHFFFAOYSA-N
MW348.06 g/mol
LogP5.82
Rot. Bonds4

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

1,3-dichloro-1,3-bis(2-chlorophenyl)propan-2-one (PubChem CID 172741718) has the molecular formula C15H10Cl4O and a molecular weight of 348.06 g/mol. Its IUPAC name is 1,3-dichloro-1,3-bis(2-chlorophenyl)propan-2-one.

Molecular Properties

Compound Name1,3-dichloro-1,3-bis(2-chlorophenyl)propan-2-one
PubChem CID172741718
Molecular FormulaC15H10Cl4O
Molecular Weight348.06 g/mol
Exact Mass345.95
IUPAC Name1,3-dichloro-1,3-bis(2-chlorophenyl)propan-2-one
SMILESO=C(C(Cl)c1ccccc1Cl)C(Cl)c1ccccc1Cl
InChIInChI=1S/C15H10Cl4O/c16-11-7-3-1-5-9(11)13(18)15(20)14(19)10-6-2-4-8-12(10)17/h1-8,13-14H
InChIKeyJELYNOYUUWQZGM-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'}

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Related Compounds

2-chloro-2-(2-chlorophenyl)-N-cyclopentylacetamide
CID 62224606
(2R)-2-(2-chlorophenyl)-2-(methylamino)acetic acid
CID 51886753
1-(2-chlorophenyl)-1-fluoropropan-2-one
CID 105442385
2-(2-chlorophenyl)-2-hydroxyacetic acid;copper
CID 174872808
(2R)-2-(2-chlorophenyl)-2-hydroxyacetate
CID 6922876
2,3-dibromo-3-(2-chlorophenyl)propanoyl chloride
CID 22119015
sodium (2R)-2-(2-chlorophenyl)-2-hydroxyacetate
CID 141394599
2-(2-chlorophenyl)-2-fluoroacetamide
CID 115017416
(3S)-3-(2-chlorophenyl)-3-hydroxypropanoic acid
CID 11975499
(1S,2R)-1-(2-chlorophenyl)propane-1,2-diol
CID 66634039
1,1,2-trichloro-2-(2-chlorophenyl)ethanol
CID 22614151
(1R)-1-(2-chlorophenyl)-1-(dimethylamino)-3-methylbutan-2-one
CID 59470867

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-1,3-bis(2-chlorophenyl)propan-2-one?
The IUPAC name of 1,3-dichloro-1,3-bis(2-chlorophenyl)propan-2-one (CID 172741718) is 1,3-dichloro-1,3-bis(2-chlorophenyl)propan-2-one.
What is the SMILES notation for 1,3-dichloro-1,3-bis(2-chlorophenyl)propan-2-one?
The canonical SMILES for 1,3-dichloro-1,3-bis(2-chlorophenyl)propan-2-one is O=C(C(Cl)c1ccccc1Cl)C(Cl)c1ccccc1Cl.
What is the InChIKey of 1,3-dichloro-1,3-bis(2-chlorophenyl)propan-2-one?
The InChIKey is JELYNOYUUWQZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl4O/c16-11-7-3-1-5-9(11)13(18)15(20)14(19)10-6-2-4-8-12(10)17/h1-8,13-14H.
What are the key properties of 1,3-dichloro-1,3-bis(2-chlorophenyl)propan-2-one?
1,3-dichloro-1,3-bis(2-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(2-chlorophenyl)propan-2-one is sourced from PubChem (CID 172741718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).