[4-(bromomethyl)-2-chlorophenyl]-(2,4-dichlorophenyl)methanone

C14H8BrCl3O — CID 15065209

IUPAC[4-(bromomethyl)-2-chlorophenyl]-(2,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)c1ccc(CBr)cc1Cl
InChIInChI=1S/C14H8BrCl3O/c15-7-8-1-3-10(12(17)5-8)14(19)11-4-2-9(16)6-13(11)18/h1-6H,7H2
InChIKeyFBUYLXUMWXJKQF-UHFFFAOYSA-N
MW378.48 g/mol
LogP5.77
Rot. Bonds3

About [4-(bromomethyl)-2-chlorophenyl]-(2,4-dichlorophenyl)methanone

[4-(bromomethyl)-2-chlorophenyl]-(2,4-dichlorophenyl)methanone (PubChem CID 15065209) has the molecular formula C14H8BrCl3O and a molecular weight of 378.48 g/mol. Its IUPAC name is [4-(bromomethyl)-2-chlorophenyl]-(2,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name[4-(bromomethyl)-2-chlorophenyl]-(2,4-dichlorophenyl)methanone
PubChem CID15065209
Molecular FormulaC14H8BrCl3O
Molecular Weight378.48 g/mol
Exact Mass375.88
IUPAC Name[4-(bromomethyl)-2-chlorophenyl]-(2,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)c1ccc(CBr)cc1Cl
InChIInChI=1S/C14H8BrCl3O/c15-7-8-1-3-10(12(17)5-8)14(19)11-4-2-9(16)6-13(11)18/h1-6H,7H2
InChIKeyFBUYLXUMWXJKQF-UHFFFAOYSA-N
XLogP5.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.48
LogP ≤ 55.77
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-bromo-4-(bromomethyl)phenyl]-(2,4-dichlorophenyl)methanone
CID 146240510
(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43344575
(5-chlorofuran-2-yl)-(2,4-dichlorophenyl)methanone
CID 106683803
methyl 4-(bromomethyl)-2-chlorobenzoate
CID 22072833
(4-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43805120
(2,4-dichlorophenyl)-(2,4-difluorophenyl)methanone
CID 43159987
(4-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanone
CID 63492688
(2,4-dichlorophenyl)-(2-ethylphenyl)methanone
CID 79020257
2,3-dibromo-1-(2,4-dichlorophenyl)propan-1-one
CID 130136731
(5-bromo-2-iodophenyl)-(2,4-dichlorophenyl)methanone
CID 114032798
(2,4-dichlorophenyl)-(3,4,5-trifluorophenyl)methanone
CID 63187591
(2,4-dichlorophenyl)-(4-hydroxyphenyl)methanone
CID 13453357

Frequently Asked Questions

What is the IUPAC name of [4-(bromomethyl)-2-chlorophenyl]-(2,4-dichlorophenyl)methanone?
The IUPAC name of [4-(bromomethyl)-2-chlorophenyl]-(2,4-dichlorophenyl)methanone (CID 15065209) is [4-(bromomethyl)-2-chlorophenyl]-(2,4-dichlorophenyl)methanone.
What is the SMILES notation for [4-(bromomethyl)-2-chlorophenyl]-(2,4-dichlorophenyl)methanone?
The canonical SMILES for [4-(bromomethyl)-2-chlorophenyl]-(2,4-dichlorophenyl)methanone is O=C(c1ccc(Cl)cc1Cl)c1ccc(CBr)cc1Cl.
What is the InChIKey of [4-(bromomethyl)-2-chlorophenyl]-(2,4-dichlorophenyl)methanone?
The InChIKey is FBUYLXUMWXJKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl3O/c15-7-8-1-3-10(12(17)5-8)14(19)11-4-2-9(16)6-13(11)18/h1-6H,7H2.
What are the key properties of [4-(bromomethyl)-2-chlorophenyl]-(2,4-dichlorophenyl)methanone?
[4-(bromomethyl)-2-chlorophenyl]-(2,4-dichlorophenyl)methanone has a molecular weight of 378.48 g/mol, XLogP of 5.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(bromomethyl)-2-chlorophenyl]-(2,4-dichlorophenyl)methanone is sourced from PubChem (CID 15065209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).