[2-bromo-4-(1-bromoethyl)phenyl]-(4-chlorophenyl)methanone

C15H11Br2ClO — CID 139493893

IUPAC[2-bromo-4-(1-bromoethyl)phenyl]-(4-chlorophenyl)methanone
SMILESCC(Br)c1ccc(C(=O)c2ccc(Cl)cc2)c(Br)c1
InChIInChI=1S/C15H11Br2ClO/c1-9(16)11-4-7-13(14(17)8-11)15(19)10-2-5-12(18)6-3-10/h2-9H,1H3
InChIKeySRJBDATUPDEMHD-UHFFFAOYSA-N
MW402.51 g/mol
LogP5.79
Rot. Bonds3

About [2-bromo-4-(1-bromoethyl)phenyl]-(4-chlorophenyl)methanone

[2-bromo-4-(1-bromoethyl)phenyl]-(4-chlorophenyl)methanone (PubChem CID 139493893) has the molecular formula C15H11Br2ClO and a molecular weight of 402.51 g/mol. Its IUPAC name is [2-bromo-4-(1-bromoethyl)phenyl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[2-bromo-4-(1-bromoethyl)phenyl]-(4-chlorophenyl)methanone
PubChem CID139493893
Molecular FormulaC15H11Br2ClO
Molecular Weight402.51 g/mol
Exact Mass399.89
IUPAC Name[2-bromo-4-(1-bromoethyl)phenyl]-(4-chlorophenyl)methanone
SMILESCC(Br)c1ccc(C(=O)c2ccc(Cl)cc2)c(Br)c1
InChIInChI=1S/C15H11Br2ClO/c1-9(16)11-4-7-13(14(17)8-11)15(19)10-2-5-12(18)6-3-10/h2-9H,1H3
InChIKeySRJBDATUPDEMHD-UHFFFAOYSA-N
XLogP5.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.51
LogP ≤ 55.79
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-(dibromomethyl)phenyl]-(4-chlorophenyl)methanone
CID 134514418
[2-bromo-4-(1-bromoethyl)phenyl]-(4-chloro-3-methoxyphenyl)methanone
CID 146252011
(2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanone
CID 107944448
2-bromo-4-[(1R)-1-bromoethyl]benzoic acid
CID 97049467
(2,4-dichlorophenyl)-(4-propan-2-ylphenyl)methanone
CID 43625036
[4-bromo-6-(dibromomethyl)-3-pyridinyl]-(4-chlorophenyl)methanone
CID 139484983
(2-bromo-4-chlorophenyl)-(4-nitrophenyl)methanone
CID 68537792
tert-butyl 2-[3-bromo-4-(4-chlorobenzoyl)phenyl]acetate
CID 159968953
(4-amino-3-bromophenyl)-(2-bromo-4-chlorophenyl)methanone
CID 107994532
(2-bromo-4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone
CID 107987119
1-bromo-4-chloro-2-(4-chlorobenzoyl)-5-[1-(sulfinoamino)ethyl]benzene
CID 139484932
(2-bromo-4-chlorophenyl)-(3,5-difluorophenyl)methanone
CID 107996333

Frequently Asked Questions

What is the IUPAC name of [2-bromo-4-(1-bromoethyl)phenyl]-(4-chlorophenyl)methanone?
The IUPAC name of [2-bromo-4-(1-bromoethyl)phenyl]-(4-chlorophenyl)methanone (CID 139493893) is [2-bromo-4-(1-bromoethyl)phenyl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [2-bromo-4-(1-bromoethyl)phenyl]-(4-chlorophenyl)methanone?
The canonical SMILES for [2-bromo-4-(1-bromoethyl)phenyl]-(4-chlorophenyl)methanone is CC(Br)c1ccc(C(=O)c2ccc(Cl)cc2)c(Br)c1.
What is the InChIKey of [2-bromo-4-(1-bromoethyl)phenyl]-(4-chlorophenyl)methanone?
The InChIKey is SRJBDATUPDEMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2ClO/c1-9(16)11-4-7-13(14(17)8-11)15(19)10-2-5-12(18)6-3-10/h2-9H,1H3.
What are the key properties of [2-bromo-4-(1-bromoethyl)phenyl]-(4-chlorophenyl)methanone?
[2-bromo-4-(1-bromoethyl)phenyl]-(4-chlorophenyl)methanone has a molecular weight of 402.51 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-4-(1-bromoethyl)phenyl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 139493893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).