2-bromo-1-(5-fluoro-2-hydroxy-3-methoxyphenyl)ethanone

C9H8BrFO3 — CID 171020270

IUPAC2-bromo-1-(5-fluoro-2-hydroxy-3-methoxyphenyl)ethanone
SMILESCOc1cc(F)cc(C(=O)CBr)c1O
InChIInChI=1S/C9H8BrFO3/c1-14-8-3-5(11)2-6(9(8)13)7(12)4-10/h2-3,13H,4H2,1H3
InChIKeyWCLDOWOFMPFOMN-UHFFFAOYSA-N
MW263.06 g/mol
LogP2.12
Rot. Bonds3

About 2-bromo-1-(5-fluoro-2-hydroxy-3-methoxyphenyl)ethanone

2-bromo-1-(5-fluoro-2-hydroxy-3-methoxyphenyl)ethanone (PubChem CID 171020270) has the molecular formula C9H8BrFO3 and a molecular weight of 263.06 g/mol. Its IUPAC name is 2-bromo-1-(5-fluoro-2-hydroxy-3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(5-fluoro-2-hydroxy-3-methoxyphenyl)ethanone
PubChem CID171020270
Molecular FormulaC9H8BrFO3
Molecular Weight263.06 g/mol
Exact Mass261.96
IUPAC Name2-bromo-1-(5-fluoro-2-hydroxy-3-methoxyphenyl)ethanone
SMILESCOc1cc(F)cc(C(=O)CBr)c1O
InChIInChI=1S/C9H8BrFO3/c1-14-8-3-5(11)2-6(9(8)13)7(12)4-10/h2-3,13H,4H2,1H3
InChIKeyWCLDOWOFMPFOMN-UHFFFAOYSA-N
XLogP2.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.06
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-1-(2-chloro-4-fluoro-6-methoxyphenyl)ethanone
CID 86690853
2-bromo-1-(5-fluoro-3-iodo-2-methoxyphenyl)ethanone
CID 171022554
2-bromo-1-(1-hydroxy-4-methoxynaphthalen-2-yl)ethanone
CID 156502988
1-(5-amino-2-fluoro-4-methoxyphenyl)-2-bromoethanone
CID 171018288
2-bromo-1-(5-fluoro-2-hydroxy-3-nitrophenyl)ethanone
CID 53441697
2-bromo-4-fluoro-6-methoxyphenol
CID 58419882
2-bromo-1-(2,6-difluoro-3,5-dimethoxyphenyl)ethanone
CID 151539993
2-bromo-1-(4,5-dimethoxy-2-methylphenyl)ethanone
CID 15643655
2-bromo-1-(4-bromo-2,5-dimethoxyphenyl)ethanone
CID 86014406
2-(2-bromoacetyl)-4-fluoro-5-methoxybenzaldehyde
CID 171009532
1-(5-bromo-2-hydroxy-3-methoxyphenyl)-2-chloroethanone
CID 131289600
1-(2,5-difluoro-3-methoxyphenyl)ethanone
CID 84660399

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(5-fluoro-2-hydroxy-3-methoxyphenyl)ethanone?
The IUPAC name of 2-bromo-1-(5-fluoro-2-hydroxy-3-methoxyphenyl)ethanone (CID 171020270) is 2-bromo-1-(5-fluoro-2-hydroxy-3-methoxyphenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(5-fluoro-2-hydroxy-3-methoxyphenyl)ethanone?
The canonical SMILES for 2-bromo-1-(5-fluoro-2-hydroxy-3-methoxyphenyl)ethanone is COc1cc(F)cc(C(=O)CBr)c1O.
What is the InChIKey of 2-bromo-1-(5-fluoro-2-hydroxy-3-methoxyphenyl)ethanone?
The InChIKey is WCLDOWOFMPFOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO3/c1-14-8-3-5(11)2-6(9(8)13)7(12)4-10/h2-3,13H,4H2,1H3.
What are the key properties of 2-bromo-1-(5-fluoro-2-hydroxy-3-methoxyphenyl)ethanone?
2-bromo-1-(5-fluoro-2-hydroxy-3-methoxyphenyl)ethanone has a molecular weight of 263.06 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(5-fluoro-2-hydroxy-3-methoxyphenyl)ethanone is sourced from PubChem (CID 171020270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).