1-(5-bromo-2-methylphenyl)-2-(2-fluorophenyl)ethanone

C15H12BrFO — CID 65308220

IUPAC1-(5-bromo-2-methylphenyl)-2-(2-fluorophenyl)ethanone
SMILESCc1ccc(Br)cc1C(=O)Cc1ccccc1F
InChIInChI=1S/C15H12BrFO/c1-10-6-7-12(16)9-13(10)15(18)8-11-4-2-3-5-14(11)17/h2-7,9H,8H2,1H3
InChIKeyTVTAMKRGJAJJCR-UHFFFAOYSA-N
MW307.16 g/mol
LogP4.32
Rot. Bonds3

About 1-(5-bromo-2-methylphenyl)-2-(2-fluorophenyl)ethanone

1-(5-bromo-2-methylphenyl)-2-(2-fluorophenyl)ethanone (PubChem CID 65308220) has the molecular formula C15H12BrFO and a molecular weight of 307.16 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-2-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-2-(2-fluorophenyl)ethanone
PubChem CID65308220
Molecular FormulaC15H12BrFO
Molecular Weight307.16 g/mol
Exact Mass306.01
IUPAC Name1-(5-bromo-2-methylphenyl)-2-(2-fluorophenyl)ethanone
SMILESCc1ccc(Br)cc1C(=O)Cc1ccccc1F
InChIInChI=1S/C15H12BrFO/c1-10-6-7-12(16)9-13(10)15(18)8-11-4-2-3-5-14(11)17/h2-7,9H,8H2,1H3
InChIKeyTVTAMKRGJAJJCR-UHFFFAOYSA-N
XLogP4.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.16
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dimethylphenyl)-2-(2-fluorophenyl)ethanone
CID 43337245
2-(4-bromo-2-fluorophenyl)-1-(2-methylphenyl)ethanone
CID 55096453
1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)ethanone
CID 105412124
1-(2,5-dibromophenyl)-2-(2-methylphenyl)ethanone
CID 114373318
2-(2-bromo-3-fluorophenyl)-1-(5-bromo-2-fluorophenyl)ethanone
CID 114894273
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2-fluorophenyl)ethanone
CID 81045028
1-(5-bromo-2-methylphenyl)-2-(3-methylphenyl)ethanone
CID 65306864
2-(2-fluorophenyl)-1-(4-methylthiophen-3-yl)ethanone
CID 79803188
2-(5-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81274265
2-(4-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81274189
5-bromo-2-fluoro-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 24694264
2-(4-bromo-2-fluorophenyl)-1-(3-bromo-2-methylphenyl)ethanone
CID 114968520

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-2-(2-fluorophenyl)ethanone?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-2-(2-fluorophenyl)ethanone (CID 65308220) is 1-(5-bromo-2-methylphenyl)-2-(2-fluorophenyl)ethanone.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-2-(2-fluorophenyl)ethanone?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-2-(2-fluorophenyl)ethanone is Cc1ccc(Br)cc1C(=O)Cc1ccccc1F.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-2-(2-fluorophenyl)ethanone?
The InChIKey is TVTAMKRGJAJJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO/c1-10-6-7-12(16)9-13(10)15(18)8-11-4-2-3-5-14(11)17/h2-7,9H,8H2,1H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-2-(2-fluorophenyl)ethanone?
1-(5-bromo-2-methylphenyl)-2-(2-fluorophenyl)ethanone has a molecular weight of 307.16 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-2-(2-fluorophenyl)ethanone is sourced from PubChem (CID 65308220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).