2-chloro-1-[2-hydroxy-5-(trifluoromethoxy)phenyl]ethanone

C9H6ClF3O3 — CID 170998248

IUPAC2-chloro-1-[2-hydroxy-5-(trifluoromethoxy)phenyl]ethanone
SMILESO=C(CCl)c1cc(OC(F)(F)F)ccc1O
InChIInChI=1S/C9H6ClF3O3/c10-4-8(15)6-3-5(1-2-7(6)14)16-9(11,12)13/h1-3,14H,4H2
InChIKeyQIGXPXOQENVVBH-UHFFFAOYSA-N
MW254.59 g/mol
LogP2.71
Rot. Bonds3

About 2-chloro-1-[2-hydroxy-5-(trifluoromethoxy)phenyl]ethanone

2-chloro-1-[2-hydroxy-5-(trifluoromethoxy)phenyl]ethanone (PubChem CID 170998248) has the molecular formula C9H6ClF3O3 and a molecular weight of 254.59 g/mol. Its IUPAC name is 2-chloro-1-[2-hydroxy-5-(trifluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[2-hydroxy-5-(trifluoromethoxy)phenyl]ethanone
PubChem CID170998248
Molecular FormulaC9H6ClF3O3
Molecular Weight254.59 g/mol
Exact Mass254.00
IUPAC Name2-chloro-1-[2-hydroxy-5-(trifluoromethoxy)phenyl]ethanone
SMILESO=C(CCl)c1cc(OC(F)(F)F)ccc1O
InChIInChI=1S/C9H6ClF3O3/c10-4-8(15)6-3-5(1-2-7(6)14)16-9(11,12)13/h1-3,14H,4H2
InChIKeyQIGXPXOQENVVBH-UHFFFAOYSA-N
XLogP2.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.59
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-1-[2-hydroxy-5-(trifluoromethoxy)phenyl]ethanone 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

2-hydroxy-5-(trifluoromethoxy)benzoyl chloride
CID 134639003
2-hydroxy-5-(trifluoromethoxy)benzoic acid
CID 2775103
2-(2-chloroacetyl)-5-(trifluoromethoxy)benzonitrile
CID 171028572
2-chloro-1-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]ethanone
CID 170997940
2-chloro-1-[2-nitro-4-(trifluoromethoxy)phenyl]ethanone
CID 171028738
3-chloro-1-[2-iodo-5-(trifluoromethoxy)phenyl]propan-1-one
CID 134638540
2-bromo-1-[2-hydroxy-5-(trifluoromethoxy)phenyl]propan-1-one
CID 134619101
2-bromo-1-[2-chloro-5-(trifluoromethoxy)phenyl]ethanone
CID 171028846
2-chloro-1-[3-hydroxy-4-(trifluoromethoxy)phenyl]ethanone
CID 170998251
[2-hydroxy-5-(trifluoromethoxy)phenyl]-thiophen-2-ylmethanone
CID 58753930
2-chloro-5-(trifluoromethoxy)benzamide
CID 119004987
2-methyl-5-(trifluoromethoxy)benzoic acid
CID 58839058

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[2-hydroxy-5-(trifluoromethoxy)phenyl]ethanone?
The IUPAC name of 2-chloro-1-[2-hydroxy-5-(trifluoromethoxy)phenyl]ethanone (CID 170998248) is 2-chloro-1-[2-hydroxy-5-(trifluoromethoxy)phenyl]ethanone.
What is the SMILES notation for 2-chloro-1-[2-hydroxy-5-(trifluoromethoxy)phenyl]ethanone?
The canonical SMILES for 2-chloro-1-[2-hydroxy-5-(trifluoromethoxy)phenyl]ethanone is O=C(CCl)c1cc(OC(F)(F)F)ccc1O.
What is the InChIKey of 2-chloro-1-[2-hydroxy-5-(trifluoromethoxy)phenyl]ethanone?
The InChIKey is QIGXPXOQENVVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3O3/c10-4-8(15)6-3-5(1-2-7(6)14)16-9(11,12)13/h1-3,14H,4H2.
What are the key properties of 2-chloro-1-[2-hydroxy-5-(trifluoromethoxy)phenyl]ethanone?
2-chloro-1-[2-hydroxy-5-(trifluoromethoxy)phenyl]ethanone has a molecular weight of 254.59 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[2-hydroxy-5-(trifluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 170998248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).