[4-[4-(bromomethyl)phenyl]phenyl]-(3,4-dichlorophenyl)methanone

C20H13BrCl2O — CID 19043698

IUPAC[4-[4-(bromomethyl)phenyl]phenyl]-(3,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(-c2ccc(CBr)cc2)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H13BrCl2O/c21-12-13-1-3-14(4-2-13)15-5-7-16(8-6-15)20(24)17-9-10-18(22)19(23)11-17/h1-11H,12H2
InChIKeyFLAJEHZOIBLCHA-UHFFFAOYSA-N
MW420.13 g/mol
LogP6.79
Rot. Bonds4

About [4-[4-(bromomethyl)phenyl]phenyl]-(3,4-dichlorophenyl)methanone

[4-[4-(bromomethyl)phenyl]phenyl]-(3,4-dichlorophenyl)methanone (PubChem CID 19043698) has the molecular formula C20H13BrCl2O and a molecular weight of 420.13 g/mol. Its IUPAC name is [4-[4-(bromomethyl)phenyl]phenyl]-(3,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name[4-[4-(bromomethyl)phenyl]phenyl]-(3,4-dichlorophenyl)methanone
PubChem CID19043698
Molecular FormulaC20H13BrCl2O
Molecular Weight420.13 g/mol
Exact Mass417.95
IUPAC Name[4-[4-(bromomethyl)phenyl]phenyl]-(3,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(-c2ccc(CBr)cc2)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H13BrCl2O/c21-12-13-1-3-14(4-2-13)15-5-7-16(8-6-15)20(24)17-9-10-18(22)19(23)11-17/h1-11H,12H2
InChIKeyFLAJEHZOIBLCHA-UHFFFAOYSA-N
XLogP6.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.13
LogP ≤ 56.79
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

[4-[4-(bromomethyl)phenyl]phenyl]-phenylmethanone
CID 19742105
4-(bromomethyl)-1,2-dichlorobenzene;zinc
CID 67230004
methyl 4-[4-(3,4-dichlorobenzoyl)benzoyl]benzoate
CID 10409472
(3,4-dichlorophenyl)-(4-methoxyphenyl)methanone
CID 2758123
(3,4-dichlorophenyl)-(3,5-difluorophenyl)methanone
CID 2758085
(3,4-dichlorophenyl)-(3,5-dimethylphenyl)methanone
CID 2758091
[4-(3,4-dichlorobenzoyl)phenyl] acetate
CID 24723041
(3,4-dichlorophenyl)-(3-hydroxyphenyl)methanone
CID 12639783
(5-bromo-3-pyridinyl)-(3,4-dichlorophenyl)methanone
CID 43167215
(3,4-dichlorophenyl)-(5-methylfuran-2-yl)methanone
CID 43463771
bromomethylbenzene;diphenylmethanone
CID 159613438
4-(3,4-dichlorophenyl)benzamide
CID 141087497

Frequently Asked Questions

What is the IUPAC name of [4-[4-(bromomethyl)phenyl]phenyl]-(3,4-dichlorophenyl)methanone?
The IUPAC name of [4-[4-(bromomethyl)phenyl]phenyl]-(3,4-dichlorophenyl)methanone (CID 19043698) is [4-[4-(bromomethyl)phenyl]phenyl]-(3,4-dichlorophenyl)methanone.
What is the SMILES notation for [4-[4-(bromomethyl)phenyl]phenyl]-(3,4-dichlorophenyl)methanone?
The canonical SMILES for [4-[4-(bromomethyl)phenyl]phenyl]-(3,4-dichlorophenyl)methanone is O=C(c1ccc(-c2ccc(CBr)cc2)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [4-[4-(bromomethyl)phenyl]phenyl]-(3,4-dichlorophenyl)methanone?
The InChIKey is FLAJEHZOIBLCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrCl2O/c21-12-13-1-3-14(4-2-13)15-5-7-16(8-6-15)20(24)17-9-10-18(22)19(23)11-17/h1-11H,12H2.
What are the key properties of [4-[4-(bromomethyl)phenyl]phenyl]-(3,4-dichlorophenyl)methanone?
[4-[4-(bromomethyl)phenyl]phenyl]-(3,4-dichlorophenyl)methanone has a molecular weight of 420.13 g/mol, XLogP of 6.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(bromomethyl)phenyl]phenyl]-(3,4-dichlorophenyl)methanone is sourced from PubChem (CID 19043698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).