1-(3-chloro-5-fluoro-2-hydroxyphenyl)propan-1-one

C9H8ClFO2 — CID 62381399

IUPAC1-(3-chloro-5-fluoro-2-hydroxyphenyl)propan-1-one
SMILESCCC(=O)c1cc(F)cc(Cl)c1O
InChIInChI=1S/C9H8ClFO2/c1-2-8(12)6-3-5(11)4-7(10)9(6)13/h3-4,13H,2H2,1H3
InChIKeyHCELNKJJPMBWFG-UHFFFAOYSA-N
MW202.61 g/mol
LogP2.78
Rot. Bonds2

About 1-(3-chloro-5-fluoro-2-hydroxyphenyl)propan-1-one

1-(3-chloro-5-fluoro-2-hydroxyphenyl)propan-1-one (PubChem CID 62381399) has the molecular formula C9H8ClFO2 and a molecular weight of 202.61 g/mol. Its IUPAC name is 1-(3-chloro-5-fluoro-2-hydroxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(3-chloro-5-fluoro-2-hydroxyphenyl)propan-1-one
PubChem CID62381399
Molecular FormulaC9H8ClFO2
Molecular Weight202.61 g/mol
Exact Mass202.02
IUPAC Name1-(3-chloro-5-fluoro-2-hydroxyphenyl)propan-1-one
SMILESCCC(=O)c1cc(F)cc(Cl)c1O
InChIInChI=1S/C9H8ClFO2/c1-2-8(12)6-3-5(11)4-7(10)9(6)13/h3-4,13H,2H2,1H3
InChIKeyHCELNKJJPMBWFG-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Dichlorosalicylic acid
CID 9445
Chlorohydroxy benzophenone
CID 6799
3,5-Dichlorosalicylaldehyde
CID 66660
2-Propen-1-one, 1-(5-chloro-2-hydroxyphenyl)-3-phenyl-
CID 5377516
1-(5-Chloro-2-hydroxyphenyl)-3-phenyl-1,3-propanedione
CID 724088
4-Chloro-2'-hydroxychalcone
CID 5372946
3-Chloro-6-hydroxyacetophenone
CID 74061
(2E)-1-(5-chloro-2-hydroxyphenyl)-3-(4-methylphenyl)prop-2-en-1-one
CID 5908055
2-Propen-1-one, 1-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyphenyl)-
CID 10564291
1-(3-Chloro-4-hydroxyphenyl)ethanone
CID 1051514
2,4-Pentadien-1-one, 1-(5-chloro-2-hydroxyphenyl)-5-phenyl-
CID 1815444
5'-Chloro-2'-hydroxypropiophenone
CID 292114

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluoro-2-hydroxyphenyl)propan-1-one?
The IUPAC name of 1-(3-chloro-5-fluoro-2-hydroxyphenyl)propan-1-one (CID 62381399) is 1-(3-chloro-5-fluoro-2-hydroxyphenyl)propan-1-one.
What is the SMILES notation for 1-(3-chloro-5-fluoro-2-hydroxyphenyl)propan-1-one?
The canonical SMILES for 1-(3-chloro-5-fluoro-2-hydroxyphenyl)propan-1-one is CCC(=O)c1cc(F)cc(Cl)c1O.
What is the InChIKey of 1-(3-chloro-5-fluoro-2-hydroxyphenyl)propan-1-one?
The InChIKey is HCELNKJJPMBWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO2/c1-2-8(12)6-3-5(11)4-7(10)9(6)13/h3-4,13H,2H2,1H3.
What are the key properties of 1-(3-chloro-5-fluoro-2-hydroxyphenyl)propan-1-one?
1-(3-chloro-5-fluoro-2-hydroxyphenyl)propan-1-one has a molecular weight of 202.61 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-fluoro-2-hydroxyphenyl)propan-1-one is sourced from PubChem (CID 62381399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).