(4-bromo-2-methylphenyl)-(3-fluoro-4-methylphenyl)methanone

C15H12BrFO — CID 103750489

IUPAC(4-bromo-2-methylphenyl)-(3-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(Br)cc2C)cc1F
InChIInChI=1S/C15H12BrFO/c1-9-3-4-11(8-14(9)17)15(18)13-6-5-12(16)7-10(13)2/h3-8H,1-2H3
InChIKeyYVOKISQZBHOEMJ-UHFFFAOYSA-N
MW307.16 g/mol
LogP4.44
Rot. Bonds2

About (4-bromo-2-methylphenyl)-(3-fluoro-4-methylphenyl)methanone

(4-bromo-2-methylphenyl)-(3-fluoro-4-methylphenyl)methanone (PubChem CID 103750489) has the molecular formula C15H12BrFO and a molecular weight of 307.16 g/mol. Its IUPAC name is (4-bromo-2-methylphenyl)-(3-fluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-2-methylphenyl)-(3-fluoro-4-methylphenyl)methanone
PubChem CID103750489
Molecular FormulaC15H12BrFO
Molecular Weight307.16 g/mol
Exact Mass306.01
IUPAC Name(4-bromo-2-methylphenyl)-(3-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(Br)cc2C)cc1F
InChIInChI=1S/C15H12BrFO/c1-9-3-4-11(8-14(9)17)15(18)13-6-5-12(16)7-10(13)2/h3-8H,1-2H3
InChIKeyYVOKISQZBHOEMJ-UHFFFAOYSA-N
XLogP4.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.16
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-2-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65299227
(4-bromo-2-methylphenyl)-(3,5-difluorophenyl)methanone
CID 112694073
(4-bromo-2-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107288351
(2-fluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 107129912
(2,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 43337276
(2-amino-4-bromophenyl)-(3,4-difluorophenyl)methanone
CID 116591705
(4-bromo-2-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474023
(4-bromo-2-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 43629621
(4-bromo-2-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43629619
(4-bromo-2-methylphenyl)-(2-methylphenyl)methanone
CID 11150419
(3-fluoro-4-methylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43337574
(3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone
CID 81472431

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methylphenyl)-(3-fluoro-4-methylphenyl)methanone?
The IUPAC name of (4-bromo-2-methylphenyl)-(3-fluoro-4-methylphenyl)methanone (CID 103750489) is (4-bromo-2-methylphenyl)-(3-fluoro-4-methylphenyl)methanone.
What is the SMILES notation for (4-bromo-2-methylphenyl)-(3-fluoro-4-methylphenyl)methanone?
The canonical SMILES for (4-bromo-2-methylphenyl)-(3-fluoro-4-methylphenyl)methanone is Cc1ccc(C(=O)c2ccc(Br)cc2C)cc1F.
What is the InChIKey of (4-bromo-2-methylphenyl)-(3-fluoro-4-methylphenyl)methanone?
The InChIKey is YVOKISQZBHOEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO/c1-9-3-4-11(8-14(9)17)15(18)13-6-5-12(16)7-10(13)2/h3-8H,1-2H3.
What are the key properties of (4-bromo-2-methylphenyl)-(3-fluoro-4-methylphenyl)methanone?
(4-bromo-2-methylphenyl)-(3-fluoro-4-methylphenyl)methanone has a molecular weight of 307.16 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methylphenyl)-(3-fluoro-4-methylphenyl)methanone is sourced from PubChem (CID 103750489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).