(4-bromo-2-chlorophenyl)-(4-tert-butylphenyl)methanone

C17H16BrClO — CID 43805057

IUPAC(4-bromo-2-chlorophenyl)-(4-tert-butylphenyl)methanone
SMILESCC(C)(C)c1ccc(C(=O)c2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C17H16BrClO/c1-17(2,3)12-6-4-11(5-7-12)16(20)14-9-8-13(18)10-15(14)19/h4-10H,1-3H3
InChIKeyYRDAYOJYZXQYDA-UHFFFAOYSA-N
MW351.67 g/mol
LogP5.63
Rot. Bonds2

About (4-bromo-2-chlorophenyl)-(4-tert-butylphenyl)methanone

(4-bromo-2-chlorophenyl)-(4-tert-butylphenyl)methanone (PubChem CID 43805057) has the molecular formula C17H16BrClO and a molecular weight of 351.67 g/mol. Its IUPAC name is (4-bromo-2-chlorophenyl)-(4-tert-butylphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-2-chlorophenyl)-(4-tert-butylphenyl)methanone
PubChem CID43805057
Molecular FormulaC17H16BrClO
Molecular Weight351.67 g/mol
Exact Mass350.01
IUPAC Name(4-bromo-2-chlorophenyl)-(4-tert-butylphenyl)methanone
SMILESCC(C)(C)c1ccc(C(=O)c2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C17H16BrClO/c1-17(2,3)12-6-4-11(5-7-12)16(20)14-9-8-13(18)10-15(14)19/h4-10H,1-3H3
InChIKeyYRDAYOJYZXQYDA-UHFFFAOYSA-N
XLogP5.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.67
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4-bromo-2-chlorophenyl)-(4-tert-butylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-bromo-2-methylphenyl)-(4-tert-butylphenyl)methanone
CID 65306382
(5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanone
CID 43337748
(3-bromo-4-chlorophenyl)-(4-tert-butylphenyl)methanone
CID 115565891
(4-bromo-2-chlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 114976021
(4-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43805125
N-[(4-bromo-2-chlorophenyl)methyl]-4-tert-butylbenzamide
CID 171934642
(4-bromo-2-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43805127
(4-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanone
CID 43805096
(4-tert-butylphenyl)-(2,4-dimethylphenyl)methanone
CID 43337773
(4-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43805120
(4-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanone
CID 63492688
(2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanone
CID 81110791

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chlorophenyl)-(4-tert-butylphenyl)methanone?
The IUPAC name of (4-bromo-2-chlorophenyl)-(4-tert-butylphenyl)methanone (CID 43805057) is (4-bromo-2-chlorophenyl)-(4-tert-butylphenyl)methanone.
What is the SMILES notation for (4-bromo-2-chlorophenyl)-(4-tert-butylphenyl)methanone?
The canonical SMILES for (4-bromo-2-chlorophenyl)-(4-tert-butylphenyl)methanone is CC(C)(C)c1ccc(C(=O)c2ccc(Br)cc2Cl)cc1.
What is the InChIKey of (4-bromo-2-chlorophenyl)-(4-tert-butylphenyl)methanone?
The InChIKey is YRDAYOJYZXQYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClO/c1-17(2,3)12-6-4-11(5-7-12)16(20)14-9-8-13(18)10-15(14)19/h4-10H,1-3H3.
What are the key properties of (4-bromo-2-chlorophenyl)-(4-tert-butylphenyl)methanone?
(4-bromo-2-chlorophenyl)-(4-tert-butylphenyl)methanone has a molecular weight of 351.67 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-chlorophenyl)-(4-tert-butylphenyl)methanone is sourced from PubChem (CID 43805057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).