(5-bromo-2-chlorophenyl)-[3-(2-methylpropyl)phenyl]methanone

C17H16BrClO — CID 115812294

IUPAC(5-bromo-2-chlorophenyl)-[3-(2-methylpropyl)phenyl]methanone
SMILESCC(C)Cc1cccc(C(=O)c2cc(Br)ccc2Cl)c1
InChIInChI=1S/C17H16BrClO/c1-11(2)8-12-4-3-5-13(9-12)17(20)15-10-14(18)6-7-16(15)19/h3-7,9-11H,8H2,1-2H3
InChIKeyMLAUWBFERKEYIF-UHFFFAOYSA-N
MW351.67 g/mol
LogP5.53
Rot. Bonds4

About (5-bromo-2-chlorophenyl)-[3-(2-methylpropyl)phenyl]methanone

(5-bromo-2-chlorophenyl)-[3-(2-methylpropyl)phenyl]methanone (PubChem CID 115812294) has the molecular formula C17H16BrClO and a molecular weight of 351.67 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-[3-(2-methylpropyl)phenyl]methanone.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-[3-(2-methylpropyl)phenyl]methanone
PubChem CID115812294
Molecular FormulaC17H16BrClO
Molecular Weight351.67 g/mol
Exact Mass350.01
IUPAC Name(5-bromo-2-chlorophenyl)-[3-(2-methylpropyl)phenyl]methanone
SMILESCC(C)Cc1cccc(C(=O)c2cc(Br)ccc2Cl)c1
InChIInChI=1S/C17H16BrClO/c1-11(2)8-12-4-3-5-13(9-12)17(20)15-10-14(18)6-7-16(15)19/h3-7,9-11H,8H2,1-2H3
InChIKeyMLAUWBFERKEYIF-UHFFFAOYSA-N
XLogP5.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.67
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,5-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 115812427
(2,4-dichlorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 115812297
(3-chloro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 107101871
(4-chloro-2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543206
2-(2,6-dichlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone
CID 116543159
[3-(2-methylpropyl)phenyl]-(2,3,4-trifluorophenyl)methanone
CID 115812361
(2,6-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543370
(4-fluoro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543423
[3-(2-methylpropyl)phenyl]-pyridin-4-ylmethanone
CID 116543089
3-(2-methylpropyl)benzamide
CID 23130390
(2-amino-3-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 107469289
(5-bromo-2-chlorophenyl)-naphthalen-2-ylmethanone
CID 114970356

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-[3-(2-methylpropyl)phenyl]methanone?
The IUPAC name of (5-bromo-2-chlorophenyl)-[3-(2-methylpropyl)phenyl]methanone (CID 115812294) is (5-bromo-2-chlorophenyl)-[3-(2-methylpropyl)phenyl]methanone.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-[3-(2-methylpropyl)phenyl]methanone?
The canonical SMILES for (5-bromo-2-chlorophenyl)-[3-(2-methylpropyl)phenyl]methanone is CC(C)Cc1cccc(C(=O)c2cc(Br)ccc2Cl)c1.
What is the InChIKey of (5-bromo-2-chlorophenyl)-[3-(2-methylpropyl)phenyl]methanone?
The InChIKey is MLAUWBFERKEYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClO/c1-11(2)8-12-4-3-5-13(9-12)17(20)15-10-14(18)6-7-16(15)19/h3-7,9-11H,8H2,1-2H3.
What are the key properties of (5-bromo-2-chlorophenyl)-[3-(2-methylpropyl)phenyl]methanone?
(5-bromo-2-chlorophenyl)-[3-(2-methylpropyl)phenyl]methanone has a molecular weight of 351.67 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-[3-(2-methylpropyl)phenyl]methanone is sourced from PubChem (CID 115812294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).