(3-bromo-5-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone

C17H16BrFO — CID 43248253

IUPAC(3-bromo-5-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone
SMILESCC(C)Cc1ccc(C(=O)c2cc(F)cc(Br)c2)cc1
InChIInChI=1S/C17H16BrFO/c1-11(2)7-12-3-5-13(6-4-12)17(20)14-8-15(18)10-16(19)9-14/h3-6,8-11H,7H2,1-2H3
InChIKeyFHWZIRNSWFEUMR-UHFFFAOYSA-N
MW335.22 g/mol
LogP5.02
Rot. Bonds4

About (3-bromo-5-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone

(3-bromo-5-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone (PubChem CID 43248253) has the molecular formula C17H16BrFO and a molecular weight of 335.22 g/mol. Its IUPAC name is (3-bromo-5-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone.

Molecular Properties

Compound Name(3-bromo-5-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone
PubChem CID43248253
Molecular FormulaC17H16BrFO
Molecular Weight335.22 g/mol
Exact Mass334.04
IUPAC Name(3-bromo-5-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone
SMILESCC(C)Cc1ccc(C(=O)c2cc(F)cc(Br)c2)cc1
InChIInChI=1S/C17H16BrFO/c1-11(2)7-12-3-5-13(6-4-12)17(20)14-8-15(18)10-16(19)9-14/h3-6,8-11H,7H2,1-2H3
InChIKeyFHWZIRNSWFEUMR-UHFFFAOYSA-N
XLogP5.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.22
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-5-fluorophenyl)-(4-propan-2-ylphenyl)methanone
CID 43625107
(4-iodophenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 43338104
(3-fluoro-4-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 63491623
(2-chloro-4-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 43338130
(4-bromophenyl)-(3-fluoro-5-methylphenyl)methanone
CID 24723251
[4-[(dimethylamino)methyl]phenyl]-[4-(2-methylpropyl)phenyl]methanone
CID 58820967
2-methylpropyl 3-bromo-5-fluorobenzoate
CID 142440915
(3-bromo-5-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474017
(4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 115368731
(3-bromo-5-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43248240
1-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]ethanone
CID 165436365
1-(3-bromo-5-fluorophenyl)-5-methylhexan-1-one
CID 83161742

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone?
The IUPAC name of (3-bromo-5-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone (CID 43248253) is (3-bromo-5-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone.
What is the SMILES notation for (3-bromo-5-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone?
The canonical SMILES for (3-bromo-5-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone is CC(C)Cc1ccc(C(=O)c2cc(F)cc(Br)c2)cc1.
What is the InChIKey of (3-bromo-5-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone?
The InChIKey is FHWZIRNSWFEUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFO/c1-11(2)7-12-3-5-13(6-4-12)17(20)14-8-15(18)10-16(19)9-14/h3-6,8-11H,7H2,1-2H3.
What are the key properties of (3-bromo-5-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone?
(3-bromo-5-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone has a molecular weight of 335.22 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone is sourced from PubChem (CID 43248253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).