(3-bromo-4-methylphenyl)-(4-fluorophenyl)methanone

C14H10BrFO — CID 79020160

IUPAC(3-bromo-4-methylphenyl)-(4-fluorophenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(F)cc2)cc1Br
InChIInChI=1S/C14H10BrFO/c1-9-2-3-11(8-13(9)15)14(17)10-4-6-12(16)7-5-10/h2-8H,1H3
InChIKeyGEVFPLXNPSQPKD-UHFFFAOYSA-N
MW293.14 g/mol
LogP4.13
Rot. Bonds2

About (3-bromo-4-methylphenyl)-(4-fluorophenyl)methanone

(3-bromo-4-methylphenyl)-(4-fluorophenyl)methanone (PubChem CID 79020160) has the molecular formula C14H10BrFO and a molecular weight of 293.14 g/mol. Its IUPAC name is (3-bromo-4-methylphenyl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(3-bromo-4-methylphenyl)-(4-fluorophenyl)methanone
PubChem CID79020160
Molecular FormulaC14H10BrFO
Molecular Weight293.14 g/mol
Exact Mass291.99
IUPAC Name(3-bromo-4-methylphenyl)-(4-fluorophenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(F)cc2)cc1Br
InChIInChI=1S/C14H10BrFO/c1-9-2-3-11(8-13(9)15)14(17)10-4-6-12(16)7-5-10/h2-8H,1H3
InChIKeyGEVFPLXNPSQPKD-UHFFFAOYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.14
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone
CID 81472431
3-bromo-N-(4-fluorophenyl)-N,4-dimethylbenzamide
CID 79467031
(3-bromo-4-methylphenyl)-(3-chloro-4-methylphenyl)methanone
CID 103693752
(3-bromo-4-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107291350
1-(3-bromo-4-methylphenyl)-2-chloro-2-(4-fluorophenyl)ethanone
CID 81471585
3-bromo-4-methylbenzenecarbothioic S-acid
CID 22745157
1-(3-bromo-4-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376772
3-bromo-N-[(4-fluorophenyl)methylideneamino]-4-methylbenzamide
CID 922091
N-[5-bromo-2-(4-fluorobenzoyl)-4-methylphenyl]acetamide
CID 156879941
(3-bromo-4-methylphenyl)-(4-cyclopropyloxyphenyl)methanone
CID 115812872
(3,5-dimethylphenyl)-(4-fluorophenyl)methanone
CID 43159976
(3-bromo-4-methylphenyl)-(2,5-difluoro-4-pyridinyl)methanone
CID 112756042

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylphenyl)-(4-fluorophenyl)methanone?
The IUPAC name of (3-bromo-4-methylphenyl)-(4-fluorophenyl)methanone (CID 79020160) is (3-bromo-4-methylphenyl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (3-bromo-4-methylphenyl)-(4-fluorophenyl)methanone?
The canonical SMILES for (3-bromo-4-methylphenyl)-(4-fluorophenyl)methanone is Cc1ccc(C(=O)c2ccc(F)cc2)cc1Br.
What is the InChIKey of (3-bromo-4-methylphenyl)-(4-fluorophenyl)methanone?
The InChIKey is GEVFPLXNPSQPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFO/c1-9-2-3-11(8-13(9)15)14(17)10-4-6-12(16)7-5-10/h2-8H,1H3.
What are the key properties of (3-bromo-4-methylphenyl)-(4-fluorophenyl)methanone?
(3-bromo-4-methylphenyl)-(4-fluorophenyl)methanone has a molecular weight of 293.14 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methylphenyl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 79020160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).