1-(5-chloro-2-fluoro-4-hydroxyphenyl)propan-2-one

C9H8ClFO2 — CID 84671080

IUPAC1-(5-chloro-2-fluoro-4-hydroxyphenyl)propan-2-one
SMILESCC(=O)Cc1cc(Cl)c(O)cc1F
InChIInChI=1S/C9H8ClFO2/c1-5(12)2-6-3-7(10)9(13)4-8(6)11/h3-4,13H,2H2,1H3
InChIKeyIPHQDCUZHXSELI-UHFFFAOYSA-N
MW202.61 g/mol
LogP2.32
Rot. Bonds2

About 1-(5-chloro-2-fluoro-4-hydroxyphenyl)propan-2-one

1-(5-chloro-2-fluoro-4-hydroxyphenyl)propan-2-one (PubChem CID 84671080) has the molecular formula C9H8ClFO2 and a molecular weight of 202.61 g/mol. Its IUPAC name is 1-(5-chloro-2-fluoro-4-hydroxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-(5-chloro-2-fluoro-4-hydroxyphenyl)propan-2-one
PubChem CID84671080
Molecular FormulaC9H8ClFO2
Molecular Weight202.61 g/mol
Exact Mass202.02
IUPAC Name1-(5-chloro-2-fluoro-4-hydroxyphenyl)propan-2-one
SMILESCC(=O)Cc1cc(Cl)c(O)cc1F
InChIInChI=1S/C9H8ClFO2/c1-5(12)2-6-3-7(10)9(13)4-8(6)11/h3-4,13H,2H2,1H3
InChIKeyIPHQDCUZHXSELI-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-5-chloro-2-fluorophenyl)propan-2-one
CID 84807670
3-(5-chloro-2-fluoro-4-hydroxyphenyl)-2,2-dimethylpropanoic acid
CID 117369120
3-(5-chloro-2-fluoro-4-hydroxyphenyl)-2-hydroxypropanal
CID 163848524
2-chloro-5-fluorobenzene-1,4-diol
CID 45119169
1-(2,3,6-trifluoro-5-hydroxyphenyl)propan-2-one
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1-(3-chloro-2,5-difluoro-6-hydroxyphenyl)propan-2-one
CID 117314974
1-(5-chloro-2-fluoro-3,6-dihydroxyphenyl)propan-2-one
CID 84786403
1-(3-chloro-2-fluoro-5-methylphenyl)propan-2-one
CID 84669702
4-chloro-5-fluoro-2-(2-hydroxypropyl)phenol
CID 117293006
1-(4-chloro-5-fluoro-2-nitrophenyl)propan-2-one
CID 66077079
2-(5-chloro-2-fluoro-4-methoxyphenyl)acetic acid
CID 56840543
1-(4-chloro-5-fluoro-2-propan-2-yloxyphenyl)propan-2-one
CID 83899914

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluoro-4-hydroxyphenyl)propan-2-one?
The IUPAC name of 1-(5-chloro-2-fluoro-4-hydroxyphenyl)propan-2-one (CID 84671080) is 1-(5-chloro-2-fluoro-4-hydroxyphenyl)propan-2-one.
What is the SMILES notation for 1-(5-chloro-2-fluoro-4-hydroxyphenyl)propan-2-one?
The canonical SMILES for 1-(5-chloro-2-fluoro-4-hydroxyphenyl)propan-2-one is CC(=O)Cc1cc(Cl)c(O)cc1F.
What is the InChIKey of 1-(5-chloro-2-fluoro-4-hydroxyphenyl)propan-2-one?
The InChIKey is IPHQDCUZHXSELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO2/c1-5(12)2-6-3-7(10)9(13)4-8(6)11/h3-4,13H,2H2,1H3.
What are the key properties of 1-(5-chloro-2-fluoro-4-hydroxyphenyl)propan-2-one?
1-(5-chloro-2-fluoro-4-hydroxyphenyl)propan-2-one has a molecular weight of 202.61 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluoro-4-hydroxyphenyl)propan-2-one is sourced from PubChem (CID 84671080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).