[2-bromo-4-(bromomethyl)phenyl]-(2,4-dichlorophenyl)methanone

C14H8Br2Cl2O — CID 146240510

IUPAC[2-bromo-4-(bromomethyl)phenyl]-(2,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)c1ccc(CBr)cc1Br
InChIInChI=1S/C14H8Br2Cl2O/c15-7-8-1-3-10(12(16)5-8)14(19)11-4-2-9(17)6-13(11)18/h1-6H,7H2
InChIKeyMSJMQNLHSHLTDK-UHFFFAOYSA-N
MW422.93 g/mol
LogP5.88
Rot. Bonds3

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

[2-bromo-4-(bromomethyl)phenyl]-(2,4-dichlorophenyl)methanone (PubChem CID 146240510) has the molecular formula C14H8Br2Cl2O and a molecular weight of 422.93 g/mol. Its IUPAC name is [2-bromo-4-(bromomethyl)phenyl]-(2,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name[2-bromo-4-(bromomethyl)phenyl]-(2,4-dichlorophenyl)methanone
PubChem CID146240510
Molecular FormulaC14H8Br2Cl2O
Molecular Weight422.93 g/mol
Exact Mass419.83
IUPAC Name[2-bromo-4-(bromomethyl)phenyl]-(2,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)c1ccc(CBr)cc1Br
InChIInChI=1S/C14H8Br2Cl2O/c15-7-8-1-3-10(12(16)5-8)14(19)11-4-2-9(17)6-13(11)18/h1-6H,7H2
InChIKeyMSJMQNLHSHLTDK-UHFFFAOYSA-N
XLogP5.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.93
LogP ≤ 55.88
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

[4-(bromomethyl)-2-chlorophenyl]-(2,4-dichlorophenyl)methanone
CID 15065209
(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43344575
[2-bromo-4-(ethylsulfanylmethyl)phenyl]-(2-chloro-4-fluorophenyl)methanone;ethane
CID 142346523
(2-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 107987161
(5-chlorofuran-2-yl)-(2,4-dichlorophenyl)methanone
CID 106683803
[3-bromo-4-(2-chloro-4-fluorobenzoyl)phenyl]methanesulfonamide
CID 146240597
[3-bromo-4-(2-chloro-4-methylbenzoyl)phenyl]methanesulfonamide
CID 146252089
(4-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43805120
(4-bromo-5-chloro-2-fluorophenyl)-(2-bromo-4-chlorophenyl)methanone
CID 107987246
(4-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanone
CID 63492688
(5-bromo-2-iodophenyl)-(2,4-dichlorophenyl)methanone
CID 114032798
(2-bromo-4-chlorophenyl)-(4-bromo-2,5-difluorophenyl)methanone
CID 114024411

Frequently Asked Questions

What is the IUPAC name of [2-bromo-4-(bromomethyl)phenyl]-(2,4-dichlorophenyl)methanone?
The IUPAC name of [2-bromo-4-(bromomethyl)phenyl]-(2,4-dichlorophenyl)methanone (CID 146240510) is [2-bromo-4-(bromomethyl)phenyl]-(2,4-dichlorophenyl)methanone.
What is the SMILES notation for [2-bromo-4-(bromomethyl)phenyl]-(2,4-dichlorophenyl)methanone?
The canonical SMILES for [2-bromo-4-(bromomethyl)phenyl]-(2,4-dichlorophenyl)methanone is O=C(c1ccc(Cl)cc1Cl)c1ccc(CBr)cc1Br.
What is the InChIKey of [2-bromo-4-(bromomethyl)phenyl]-(2,4-dichlorophenyl)methanone?
The InChIKey is MSJMQNLHSHLTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2Cl2O/c15-7-8-1-3-10(12(16)5-8)14(19)11-4-2-9(17)6-13(11)18/h1-6H,7H2.
What are the key properties of [2-bromo-4-(bromomethyl)phenyl]-(2,4-dichlorophenyl)methanone?
[2-bromo-4-(bromomethyl)phenyl]-(2,4-dichlorophenyl)methanone has a molecular weight of 422.93 g/mol, XLogP of 5.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-4-(bromomethyl)phenyl]-(2,4-dichlorophenyl)methanone is sourced from PubChem (CID 146240510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).