2-[(2-bromophenyl)methoxy]-1-(2-fluorophenyl)ethanone

C15H12BrFO2 — CID 82826611

IUPAC2-[(2-bromophenyl)methoxy]-1-(2-fluorophenyl)ethanone
SMILESO=C(COCc1ccccc1Br)c1ccccc1F
InChIInChI=1S/C15H12BrFO2/c16-13-7-3-1-5-11(13)9-19-10-15(18)12-6-2-4-8-14(12)17/h1-8H,9-10H2
InChIKeyGRKNECXTSDBABH-UHFFFAOYSA-N
MW323.16 g/mol
LogP3.99
Rot. Bonds5

About 2-[(2-bromophenyl)methoxy]-1-(2-fluorophenyl)ethanone

2-[(2-bromophenyl)methoxy]-1-(2-fluorophenyl)ethanone (PubChem CID 82826611) has the molecular formula C15H12BrFO2 and a molecular weight of 323.16 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methoxy]-1-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[(2-bromophenyl)methoxy]-1-(2-fluorophenyl)ethanone
PubChem CID82826611
Molecular FormulaC15H12BrFO2
Molecular Weight323.16 g/mol
Exact Mass322.00
IUPAC Name2-[(2-bromophenyl)methoxy]-1-(2-fluorophenyl)ethanone
SMILESO=C(COCc1ccccc1Br)c1ccccc1F
InChIInChI=1S/C15H12BrFO2/c16-13-7-3-1-5-11(13)9-19-10-15(18)12-6-2-4-8-14(12)17/h1-8H,9-10H2
InChIKeyGRKNECXTSDBABH-UHFFFAOYSA-N
XLogP3.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-bromophenyl)methoxy]-3-chloropropan-2-one
CID 170561733
2-[(2-bromophenyl)methoxy]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 82809714
1-(2-bromophenyl)-2-ethoxyethanone
CID 43799585
2-[(2-bromophenyl)methoxy]-1-cyclopropylethanone
CID 82827162
N-[(2-bromophenyl)methyl]-2-fluorobenzamide
CID 17173440
1-(4-fluorophenyl)-2-[(2-fluorophenyl)methoxy]ethanone
CID 63936750
[2-(2-fluorophenyl)-2-oxoethyl] (E)-3-(2-bromophenyl)prop-2-enoate
CID 7882281
1-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)methoxy]ethanone
CID 63936552
1-(4-chlorophenyl)-2-[(2-fluorophenyl)methoxy]ethanone
CID 63935941
2-but-3-enoxy-1-(2-fluorophenyl)ethanone
CID 62030066
4-[(2-bromophenyl)methoxymethyl]-3-fluorobenzoic acid
CID 82825751
2-[(2-chlorophenyl)methoxy]-1-(2,6-difluorophenyl)ethanone
CID 62030412

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methoxy]-1-(2-fluorophenyl)ethanone?
The IUPAC name of 2-[(2-bromophenyl)methoxy]-1-(2-fluorophenyl)ethanone (CID 82826611) is 2-[(2-bromophenyl)methoxy]-1-(2-fluorophenyl)ethanone.
What is the SMILES notation for 2-[(2-bromophenyl)methoxy]-1-(2-fluorophenyl)ethanone?
The canonical SMILES for 2-[(2-bromophenyl)methoxy]-1-(2-fluorophenyl)ethanone is O=C(COCc1ccccc1Br)c1ccccc1F.
What is the InChIKey of 2-[(2-bromophenyl)methoxy]-1-(2-fluorophenyl)ethanone?
The InChIKey is GRKNECXTSDBABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO2/c16-13-7-3-1-5-11(13)9-19-10-15(18)12-6-2-4-8-14(12)17/h1-8H,9-10H2.
What are the key properties of 2-[(2-bromophenyl)methoxy]-1-(2-fluorophenyl)ethanone?
2-[(2-bromophenyl)methoxy]-1-(2-fluorophenyl)ethanone has a molecular weight of 323.16 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methoxy]-1-(2-fluorophenyl)ethanone is sourced from PubChem (CID 82826611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).