[2-bromo-4-(dibromomethyl)phenyl]-(4-chlorophenyl)methanone

C14H8Br3ClO — CID 134514418

IUPAC[2-bromo-4-(dibromomethyl)phenyl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(C(Br)Br)cc1Br
InChIInChI=1S/C14H8Br3ClO/c15-12-7-9(14(16)17)3-6-11(12)13(19)8-1-4-10(18)5-2-8/h1-7,14H
InChIKeyCEUNLNABTHTMBQ-UHFFFAOYSA-N
MW467.38 g/mol
LogP6.12
Rot. Bonds3

About [2-bromo-4-(dibromomethyl)phenyl]-(4-chlorophenyl)methanone

[2-bromo-4-(dibromomethyl)phenyl]-(4-chlorophenyl)methanone (PubChem CID 134514418) has the molecular formula C14H8Br3ClO and a molecular weight of 467.38 g/mol. Its IUPAC name is [2-bromo-4-(dibromomethyl)phenyl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[2-bromo-4-(dibromomethyl)phenyl]-(4-chlorophenyl)methanone
PubChem CID134514418
Molecular FormulaC14H8Br3ClO
Molecular Weight467.38 g/mol
Exact Mass463.78
IUPAC Name[2-bromo-4-(dibromomethyl)phenyl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(C(Br)Br)cc1Br
InChIInChI=1S/C14H8Br3ClO/c15-12-7-9(14(16)17)3-6-11(12)13(19)8-1-4-10(18)5-2-8/h1-7,14H
InChIKeyCEUNLNABTHTMBQ-UHFFFAOYSA-N
XLogP6.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.38
LogP ≤ 56.12
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-(1-bromoethyl)phenyl]-(4-chlorophenyl)methanone
CID 139493893
[4-bromo-6-(dibromomethyl)-3-pyridinyl]-(4-chlorophenyl)methanone
CID 139484983
(2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanone
CID 107944448
(2-bromo-4-chlorophenyl)-(4-nitrophenyl)methanone
CID 68537792
[2-bromo-4-(1-bromoethyl)phenyl]-(4-chloro-3-methoxyphenyl)methanone
CID 146252011
(4-amino-3-bromophenyl)-(2-bromo-4-chlorophenyl)methanone
CID 107994532
(2,4-dichlorophenyl)-(4-propan-2-ylphenyl)methanone
CID 43625036
(4-bromo-5-chloro-2-fluorophenyl)-(4-chlorophenyl)methanone
CID 105398339
(2-bromo-4-chlorophenyl)-(3,5-difluorophenyl)methanone
CID 107996333
(2-amino-4-bromophenyl)-(4-chlorophenyl)methanone
CID 15918246
(4-amino-3-chlorophenyl)-(2-bromo-4-chlorophenyl)methanone
CID 107994531
1-chloro-4-(dibromomethyl)benzene
CID 3017302

Frequently Asked Questions

What is the IUPAC name of [2-bromo-4-(dibromomethyl)phenyl]-(4-chlorophenyl)methanone?
The IUPAC name of [2-bromo-4-(dibromomethyl)phenyl]-(4-chlorophenyl)methanone (CID 134514418) is [2-bromo-4-(dibromomethyl)phenyl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [2-bromo-4-(dibromomethyl)phenyl]-(4-chlorophenyl)methanone?
The canonical SMILES for [2-bromo-4-(dibromomethyl)phenyl]-(4-chlorophenyl)methanone is O=C(c1ccc(Cl)cc1)c1ccc(C(Br)Br)cc1Br.
What is the InChIKey of [2-bromo-4-(dibromomethyl)phenyl]-(4-chlorophenyl)methanone?
The InChIKey is CEUNLNABTHTMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br3ClO/c15-12-7-9(14(16)17)3-6-11(12)13(19)8-1-4-10(18)5-2-8/h1-7,14H.
What are the key properties of [2-bromo-4-(dibromomethyl)phenyl]-(4-chlorophenyl)methanone?
[2-bromo-4-(dibromomethyl)phenyl]-(4-chlorophenyl)methanone has a molecular weight of 467.38 g/mol, XLogP of 6.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-4-(dibromomethyl)phenyl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 134514418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).