(2,5-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanone

C17H16Br2O — CID 115812427

IUPAC(2,5-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanone
SMILESCC(C)Cc1cccc(C(=O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C17H16Br2O/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
InChIKeyDWIVQYJHCISUKJ-UHFFFAOYSA-N
MW396.12 g/mol
LogP5.64
Rot. Bonds4

About (2,5-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanone

(2,5-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanone (PubChem CID 115812427) has the molecular formula C17H16Br2O and a molecular weight of 396.12 g/mol. Its IUPAC name is (2,5-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanone.

Molecular Properties

Compound Name(2,5-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanone
PubChem CID115812427
Molecular FormulaC17H16Br2O
Molecular Weight396.12 g/mol
Exact Mass393.96
IUPAC Name(2,5-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanone
SMILESCC(C)Cc1cccc(C(=O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C17H16Br2O/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
InChIKeyDWIVQYJHCISUKJ-UHFFFAOYSA-N
XLogP5.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.12
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5-bromo-2-chlorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 115812294
(3-chloro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 107101871
(2,4-dichlorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 115812297
[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
(4-chloro-2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543206
[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
N,N-dimethyl-3-(2-methylpropyl)benzamide
CID 59462491
fluoro 3-(2-methylpropyl)benzoate
CID 176661814

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanone?
The IUPAC name of (2,5-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanone (CID 115812427) is (2,5-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanone.
What is the SMILES notation for (2,5-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanone?
The canonical SMILES for (2,5-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanone is CC(C)Cc1cccc(C(=O)c2cc(Br)ccc2Br)c1.
What is the InChIKey of (2,5-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanone?
The InChIKey is DWIVQYJHCISUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Br2O/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 (2,5-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanone?
(2,5-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanone has a molecular weight of 396.12 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanone is sourced from PubChem (CID 115812427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).