1-(4-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone

C8H5BrClFO2 — CID 130777818

IUPAC1-(4-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone
SMILESO=C(CCl)c1c(O)cc(Br)cc1F
InChIInChI=1S/C8H5BrClFO2/c9-4-1-5(11)8(6(12)2-4)7(13)3-10/h1-2,12H,3H2
InChIKeyLOPQSCQWYPKDQF-UHFFFAOYSA-N
MW267.48 g/mol
LogP2.72
Rot. Bonds2

About 1-(4-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone

1-(4-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone (PubChem CID 130777818) has the molecular formula C8H5BrClFO2 and a molecular weight of 267.48 g/mol. Its IUPAC name is 1-(4-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone.

Molecular Properties

Compound Name1-(4-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone
PubChem CID130777818
Molecular FormulaC8H5BrClFO2
Molecular Weight267.48 g/mol
Exact Mass265.91
IUPAC Name1-(4-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone
SMILESO=C(CCl)c1c(O)cc(Br)cc1F
InChIInChI=1S/C8H5BrClFO2/c9-4-1-5(11)8(6(12)2-4)7(13)3-10/h1-2,12H,3H2
InChIKeyLOPQSCQWYPKDQF-UHFFFAOYSA-N
XLogP2.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.48
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromo-2-fluoro-6-hydroxyphenyl)butan-1-one
CID 90298147
1-(5-bromo-3-fluoro-2-iodophenyl)-2-chloroethanone
CID 131620004
3-chloro-1-(2,4-difluoro-6-hydroxyphenyl)propan-1-one
CID 163196629
1-(3-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone
CID 130868467
1-(4-bromo-2-fluoro-5-hydroxyphenyl)-2-chloroethanone
CID 131118712
2-chloro-1-(3,6-difluoro-2-hydroxyphenyl)ethanone
CID 131169270
1-(4-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutan-1-one
CID 114976545
1-(2-amino-4-bromo-6-chlorophenyl)-2-chloroethanone
CID 171011742
1-(2-amino-6-fluoro-4-methylphenyl)-2-chloroethanone
CID 171018223
1-(4-bromo-2,6-difluorophenyl)-2-ethoxyethanone
CID 115782966
4-bromo-N-(1-chloropentan-3-yl)-2,6-difluorobenzamide
CID 113496332
2-[2-(4-bromo-2,6-difluorophenyl)-2-oxoethyl]sulfonylbenzenesulfonamide
CID 58119582

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone?
The IUPAC name of 1-(4-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone (CID 130777818) is 1-(4-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone.
What is the SMILES notation for 1-(4-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone?
The canonical SMILES for 1-(4-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone is O=C(CCl)c1c(O)cc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone?
The InChIKey is LOPQSCQWYPKDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClFO2/c9-4-1-5(11)8(6(12)2-4)7(13)3-10/h1-2,12H,3H2.
What are the key properties of 1-(4-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone?
1-(4-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone has a molecular weight of 267.48 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone is sourced from PubChem (CID 130777818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).