(5-bromo-3-fluoro-2-hydroxyphenyl)-phenylmethanone

C13H8BrFO2 — CID 62380850

IUPAC(5-bromo-3-fluoro-2-hydroxyphenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(Br)cc(F)c1O
InChIInChI=1S/C13H8BrFO2/c14-9-6-10(13(17)11(15)7-9)12(16)8-4-2-1-3-5-8/h1-7,17H
InChIKeyHZFXSQUUSKSFSF-UHFFFAOYSA-N
MW295.11 g/mol
LogP3.52
Rot. Bonds2

About (5-bromo-3-fluoro-2-hydroxyphenyl)-phenylmethanone

(5-bromo-3-fluoro-2-hydroxyphenyl)-phenylmethanone (PubChem CID 62380850) has the molecular formula C13H8BrFO2 and a molecular weight of 295.11 g/mol. Its IUPAC name is (5-bromo-3-fluoro-2-hydroxyphenyl)-phenylmethanone.

Molecular Properties

Compound Name(5-bromo-3-fluoro-2-hydroxyphenyl)-phenylmethanone
PubChem CID62380850
Molecular FormulaC13H8BrFO2
Molecular Weight295.11 g/mol
Exact Mass293.97
IUPAC Name(5-bromo-3-fluoro-2-hydroxyphenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(Br)cc(F)c1O
InChIInChI=1S/C13H8BrFO2/c14-9-6-10(13(17)11(15)7-9)12(16)8-4-2-1-3-5-8/h1-7,17H
InChIKeyHZFXSQUUSKSFSF-UHFFFAOYSA-N
XLogP3.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.11
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluoro-2-hydroxyphenyl)-phenylmethanone
CID 10512885
2-(5-bromo-3-fluoro-2-hydroxyphenyl)-2-oxoacetic acid
CID 117411589
(4-bromo-2-fluorophenyl)-(4-phenoxyphenyl)methanone
CID 11501584
(1,4-dihydroxynaphthalen-2-yl)-phenylmethanone
CID 11277063
(2-aminophenyl)-phenylmethanone
CID 158207972
3-benzoyl-4,5-dihydroxybenzenesulfonic acid
CID 174382159
1-(5-bromo-3-fluoro-2-hydroxyphenyl)-3-methylbutan-1-one
CID 62379385
(2-aminophenyl)-phenylmethanone;diphenylmethanone
CID 90112643
(3-amino-5-bromophenyl)-(2-fluorophenyl)methanone
CID 116597103
(3-bromo-5-methylphenyl)-(2-fluorophenyl)methanone
CID 114965994
[5-bromo-2-(2-iodophenyl)phenyl]-phenylmethanone
CID 175168856
diphenylmethanone
CID 3102

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-fluoro-2-hydroxyphenyl)-phenylmethanone?
The IUPAC name of (5-bromo-3-fluoro-2-hydroxyphenyl)-phenylmethanone (CID 62380850) is (5-bromo-3-fluoro-2-hydroxyphenyl)-phenylmethanone.
What is the SMILES notation for (5-bromo-3-fluoro-2-hydroxyphenyl)-phenylmethanone?
The canonical SMILES for (5-bromo-3-fluoro-2-hydroxyphenyl)-phenylmethanone is O=C(c1ccccc1)c1cc(Br)cc(F)c1O.
What is the InChIKey of (5-bromo-3-fluoro-2-hydroxyphenyl)-phenylmethanone?
The InChIKey is HZFXSQUUSKSFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFO2/c14-9-6-10(13(17)11(15)7-9)12(16)8-4-2-1-3-5-8/h1-7,17H.
What are the key properties of (5-bromo-3-fluoro-2-hydroxyphenyl)-phenylmethanone?
(5-bromo-3-fluoro-2-hydroxyphenyl)-phenylmethanone has a molecular weight of 295.11 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-fluoro-2-hydroxyphenyl)-phenylmethanone is sourced from PubChem (CID 62380850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).