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

C9H8ClFO3 — CID 171020272

IUPAC2-chloro-1-(5-fluoro-3-hydroxy-2-methoxyphenyl)ethanone
SMILESCOc1c(O)cc(F)cc1C(=O)CCl
InChIInChI=1S/C9H8ClFO3/c1-14-9-6(8(13)4-10)2-5(11)3-7(9)12/h2-3,12H,4H2,1H3
InChIKeyMGXSQVPRXVPSHC-UHFFFAOYSA-N
MW218.61 g/mol
LogP1.96
Rot. Bonds3

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

2-chloro-1-(5-fluoro-3-hydroxy-2-methoxyphenyl)ethanone (PubChem CID 171020272) has the molecular formula C9H8ClFO3 and a molecular weight of 218.61 g/mol. Its IUPAC name is 2-chloro-1-(5-fluoro-3-hydroxy-2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(5-fluoro-3-hydroxy-2-methoxyphenyl)ethanone
PubChem CID171020272
Molecular FormulaC9H8ClFO3
Molecular Weight218.61 g/mol
Exact Mass218.01
IUPAC Name2-chloro-1-(5-fluoro-3-hydroxy-2-methoxyphenyl)ethanone
SMILESCOc1c(O)cc(F)cc1C(=O)CCl
InChIInChI=1S/C9H8ClFO3/c1-14-9-6(8(13)4-10)2-5(11)3-7(9)12/h2-3,12H,4H2,1H3
InChIKeyMGXSQVPRXVPSHC-UHFFFAOYSA-N
XLogP1.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.61
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-1-(5-fluoro-3-hydroxy-2-methoxyphenyl)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-chloro-1-(3-chloro-5-fluoro-2-methoxyphenyl)ethanone
CID 171007194
1-(3-amino-5-fluoro-2-methoxyphenyl)-2-chloroethanone
CID 171018548
3-(2-chloroacetyl)-5-fluoro-4-methoxybenzonitrile
CID 171022329
3-amino-1-(3-chloro-5-fluoro-2-methoxyphenyl)propan-1-one
CID 84794927
2-bromo-1-(5-fluoro-3-iodo-2-methoxyphenyl)ethanone
CID 171022554
3-(2-chloroacetyl)-5-iodo-2-methoxybenzonitrile
CID 171025598
2-chloro-1-(2-methoxy-4,5-dimethylphenyl)ethanone
CID 82048758
2-(3-chloro-5-fluoro-2-methoxyphenyl)-2-oxoacetic acid
CID 117337071
1-[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]-2-(methylamino)ethanone
CID 117369600
3-(2-chloroacetyl)-5-formyl-2-methoxybenzonitrile
CID 171016592
N-[2-(2-chloroacetyl)-4-fluorophenyl]-N-methylformamide
CID 23128095
ethyl 2-(3-chloro-5-fluoro-2-methoxyphenyl)-2-oxoacetate
CID 117405923

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(5-fluoro-3-hydroxy-2-methoxyphenyl)ethanone?
The IUPAC name of 2-chloro-1-(5-fluoro-3-hydroxy-2-methoxyphenyl)ethanone (CID 171020272) is 2-chloro-1-(5-fluoro-3-hydroxy-2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-chloro-1-(5-fluoro-3-hydroxy-2-methoxyphenyl)ethanone?
The canonical SMILES for 2-chloro-1-(5-fluoro-3-hydroxy-2-methoxyphenyl)ethanone is COc1c(O)cc(F)cc1C(=O)CCl.
What is the InChIKey of 2-chloro-1-(5-fluoro-3-hydroxy-2-methoxyphenyl)ethanone?
The InChIKey is MGXSQVPRXVPSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO3/c1-14-9-6(8(13)4-10)2-5(11)3-7(9)12/h2-3,12H,4H2,1H3.
What are the key properties of 2-chloro-1-(5-fluoro-3-hydroxy-2-methoxyphenyl)ethanone?
2-chloro-1-(5-fluoro-3-hydroxy-2-methoxyphenyl)ethanone has a molecular weight of 218.61 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(5-fluoro-3-hydroxy-2-methoxyphenyl)ethanone is sourced from PubChem (CID 171020272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).