2-(3-bromo-5-fluorophenyl)-1-(2-methoxyphenyl)ethanone

C15H12BrFO2 — CID 79702150

IUPAC2-(3-bromo-5-fluorophenyl)-1-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1C(=O)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C15H12BrFO2/c1-19-15-5-3-2-4-13(15)14(18)8-10-6-11(16)9-12(17)7-10/h2-7,9H,8H2,1H3
InChIKeyKDRRBTBFUZTQRW-UHFFFAOYSA-N
MW323.16 g/mol
LogP4.02
Rot. Bonds4

About 2-(3-bromo-5-fluorophenyl)-1-(2-methoxyphenyl)ethanone

2-(3-bromo-5-fluorophenyl)-1-(2-methoxyphenyl)ethanone (PubChem CID 79702150) has the molecular formula C15H12BrFO2 and a molecular weight of 323.16 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(2-methoxyphenyl)ethanone
PubChem CID79702150
Molecular FormulaC15H12BrFO2
Molecular Weight323.16 g/mol
Exact Mass322.00
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1C(=O)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C15H12BrFO2/c1-19-15-5-3-2-4-13(15)14(18)8-10-6-11(16)9-12(17)7-10/h2-7,9H,8H2,1H3
InChIKeyKDRRBTBFUZTQRW-UHFFFAOYSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-5-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 115786701
2-(3,5-difluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone
CID 105412160
2-(3-bromo-5-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanone
CID 105118266
2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanone
CID 115786719
2-(3-bromo-5-fluorophenyl)-1-(4-methylphenyl)ethanone
CID 79701233
2-[4-[2-(2-methoxyphenyl)-2-oxoethyl]phenyl]acetic acid
CID 158147821
2-(3-bromo-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone
CID 79702795
2-(3-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790334
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
2-fluoro-1-(2-methoxyphenyl)ethanone
CID 11816076
2-(3-bromo-5-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanone
CID 107967710
1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanone
CID 82808065

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(2-methoxyphenyl)ethanone?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(2-methoxyphenyl)ethanone (CID 79702150) is 2-(3-bromo-5-fluorophenyl)-1-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(2-methoxyphenyl)ethanone?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(2-methoxyphenyl)ethanone is COc1ccccc1C(=O)Cc1cc(F)cc(Br)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(2-methoxyphenyl)ethanone?
The InChIKey is KDRRBTBFUZTQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO2/c1-19-15-5-3-2-4-13(15)14(18)8-10-6-11(16)9-12(17)7-10/h2-7,9H,8H2,1H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(2-methoxyphenyl)ethanone?
2-(3-bromo-5-fluorophenyl)-1-(2-methoxyphenyl)ethanone has a molecular weight of 323.16 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 79702150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).