(3-bromo-2-fluorophenyl)-(2,5-dimethylphenyl)methanone

C15H12BrFO — CID 106647432

IUPAC(3-bromo-2-fluorophenyl)-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)c2cccc(Br)c2F)c1
InChIInChI=1S/C15H12BrFO/c1-9-6-7-10(2)12(8-9)15(18)11-4-3-5-13(16)14(11)17/h3-8H,1-2H3
InChIKeyDBRIAPZKLSKORI-UHFFFAOYSA-N
MW307.16 g/mol
LogP4.44
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-(2,5-dimethylphenyl)methanone

(3-bromo-2-fluorophenyl)-(2,5-dimethylphenyl)methanone (PubChem CID 106647432) has the molecular formula C15H12BrFO and a molecular weight of 307.16 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(2,5-dimethylphenyl)methanone
PubChem CID106647432
Molecular FormulaC15H12BrFO
Molecular Weight307.16 g/mol
Exact Mass306.01
IUPAC Name(3-bromo-2-fluorophenyl)-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)c2cccc(Br)c2F)c1
InChIInChI=1S/C15H12BrFO/c1-9-6-7-10(2)12(8-9)15(18)11-4-3-5-13(16)14(11)17/h3-8H,1-2H3
InChIKeyDBRIAPZKLSKORI-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

(3-bromo-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 114020633
(3-chloro-2-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 64713968
(2-bromo-4-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43337277
N'-(2-bromobenzoyl)-2-(2,5-dimethylbenzoyl)benzohydrazide
CID 2439814
3-bromo-N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 106543986
(3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methanone
CID 106644923
(4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanone
CID 115784127
(2,5-dimethylphenyl)-naphthalen-1-ylmethanone
CID 43337274
(3-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 107949988
(3-bromo-2-methylphenyl)-(2,3-difluorophenyl)methanone
CID 114973529
(2-bromo-3-fluorophenyl)-(2-fluoro-5-methylphenyl)methanone
CID 114970846
(3-bromo-2-fluorophenyl)-(2-tert-butylphenyl)methanone
CID 106647329

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(2,5-dimethylphenyl)methanone?
The IUPAC name of (3-bromo-2-fluorophenyl)-(2,5-dimethylphenyl)methanone (CID 106647432) is (3-bromo-2-fluorophenyl)-(2,5-dimethylphenyl)methanone.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(2,5-dimethylphenyl)methanone?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(2,5-dimethylphenyl)methanone is Cc1ccc(C)c(C(=O)c2cccc(Br)c2F)c1.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(2,5-dimethylphenyl)methanone?
The InChIKey is DBRIAPZKLSKORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO/c1-9-6-7-10(2)12(8-9)15(18)11-4-3-5-13(16)14(11)17/h3-8H,1-2H3.
What are the key properties of (3-bromo-2-fluorophenyl)-(2,5-dimethylphenyl)methanone?
(3-bromo-2-fluorophenyl)-(2,5-dimethylphenyl)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 (3-bromo-2-fluorophenyl)-(2,5-dimethylphenyl)methanone is sourced from PubChem (CID 106647432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).