2-chloro-1-(3-fluoro-4-hydroxyphenyl)propan-1-one

C9H8ClFO2 — CID 45080970

IUPAC2-chloro-1-(3-fluoro-4-hydroxyphenyl)propan-1-one
SMILESCC(Cl)C(=O)c1ccc(O)c(F)c1
InChIInChI=1S/C9H8ClFO2/c1-5(10)9(13)6-2-3-8(12)7(11)4-6/h2-5,12H,1H3
InChIKeyLDNNDSJVKVOANZ-UHFFFAOYSA-N
MW202.61 g/mol
LogP2.34
Rot. Bonds2

About 2-chloro-1-(3-fluoro-4-hydroxyphenyl)propan-1-one

2-chloro-1-(3-fluoro-4-hydroxyphenyl)propan-1-one (PubChem CID 45080970) has the molecular formula C9H8ClFO2 and a molecular weight of 202.61 g/mol. Its IUPAC name is 2-chloro-1-(3-fluoro-4-hydroxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-chloro-1-(3-fluoro-4-hydroxyphenyl)propan-1-one
PubChem CID45080970
Molecular FormulaC9H8ClFO2
Molecular Weight202.61 g/mol
Exact Mass202.02
IUPAC Name2-chloro-1-(3-fluoro-4-hydroxyphenyl)propan-1-one
SMILESCC(Cl)C(=O)c1ccc(O)c(F)c1
InChIInChI=1S/C9H8ClFO2/c1-5(10)9(13)6-2-3-8(12)7(11)4-6/h2-5,12H,1H3
InChIKeyLDNNDSJVKVOANZ-UHFFFAOYSA-N
XLogP2.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.61
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-(4-hydroxy-3-sulfanylphenyl)propan-1-one
CID 131076167
4-(2-chloropropanoyl)-2-fluorobenzaldehyde
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(2S)-2-chloro-1-(4-hydroxy-3-methoxyphenyl)propan-1-one
CID 95423197
[(2S)-2-methylbutyl] 3-fluoro-4-hydroxybenzoate
CID 54464410
(2R)-2-chloro-1-naphthalen-2-ylpropan-1-one
CID 93494503
1-(4-bromo-3-methylsulfanylphenyl)-2-chloropropan-1-one
CID 130838496
N-[5-(2-chloropropanoyl)-2-fluorophenyl]-3-oxobutanamide
CID 57069458
1-(4-amino-3-methylphenyl)-2-chloropropan-1-one
CID 118832418
2-chloro-1-(4-methyl-3-sulfanylphenyl)propan-1-one
CID 131075129
2-chloro-1-[4-(chloromethyl)-3-methylphenyl]propan-1-one
CID 130779168
2,2-dimethylpropane;ethane;methyl 3-fluoro-4-hydroxybenzoate
CID 144796029
2-chloro-1-(3-propan-2-ylphenyl)propan-1-one
CID 131009235

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(3-fluoro-4-hydroxyphenyl)propan-1-one?
The IUPAC name of 2-chloro-1-(3-fluoro-4-hydroxyphenyl)propan-1-one (CID 45080970) is 2-chloro-1-(3-fluoro-4-hydroxyphenyl)propan-1-one.
What is the SMILES notation for 2-chloro-1-(3-fluoro-4-hydroxyphenyl)propan-1-one?
The canonical SMILES for 2-chloro-1-(3-fluoro-4-hydroxyphenyl)propan-1-one is CC(Cl)C(=O)c1ccc(O)c(F)c1.
What is the InChIKey of 2-chloro-1-(3-fluoro-4-hydroxyphenyl)propan-1-one?
The InChIKey is LDNNDSJVKVOANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO2/c1-5(10)9(13)6-2-3-8(12)7(11)4-6/h2-5,12H,1H3.
What are the key properties of 2-chloro-1-(3-fluoro-4-hydroxyphenyl)propan-1-one?
2-chloro-1-(3-fluoro-4-hydroxyphenyl)propan-1-one has a molecular weight of 202.61 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(3-fluoro-4-hydroxyphenyl)propan-1-one is sourced from PubChem (CID 45080970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).