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

C9H8ClFO2 — CID 82717648

IUPAC1-(5-chloro-4-fluoro-2-hydroxyphenyl)propan-1-one
SMILESCCC(=O)c1cc(Cl)c(F)cc1O
InChIInChI=1S/C9H8ClFO2/c1-2-8(12)5-3-6(10)7(11)4-9(5)13/h3-4,13H,2H2,1H3
InChIKeyPKNHETGZFWLVEL-UHFFFAOYSA-N
MW202.61 g/mol
LogP2.78
Rot. Bonds2

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

1-(5-chloro-4-fluoro-2-hydroxyphenyl)propan-1-one (PubChem CID 82717648) has the molecular formula C9H8ClFO2 and a molecular weight of 202.61 g/mol. Its IUPAC name is 1-(5-chloro-4-fluoro-2-hydroxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(5-chloro-4-fluoro-2-hydroxyphenyl)propan-1-one
PubChem CID82717648
Molecular FormulaC9H8ClFO2
Molecular Weight202.61 g/mol
Exact Mass202.02
IUPAC Name1-(5-chloro-4-fluoro-2-hydroxyphenyl)propan-1-one
SMILESCCC(=O)c1cc(Cl)c(F)cc1O
InChIInChI=1S/C9H8ClFO2/c1-2-8(12)5-3-6(10)7(11)4-9(5)13/h3-4,13H,2H2,1H3
InChIKeyPKNHETGZFWLVEL-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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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-fluoro-2-hydroxyphenyl)propan-1-one?
The IUPAC name of 1-(5-chloro-4-fluoro-2-hydroxyphenyl)propan-1-one (CID 82717648) is 1-(5-chloro-4-fluoro-2-hydroxyphenyl)propan-1-one.
What is the SMILES notation for 1-(5-chloro-4-fluoro-2-hydroxyphenyl)propan-1-one?
The canonical SMILES for 1-(5-chloro-4-fluoro-2-hydroxyphenyl)propan-1-one is CCC(=O)c1cc(Cl)c(F)cc1O.
What is the InChIKey of 1-(5-chloro-4-fluoro-2-hydroxyphenyl)propan-1-one?
The InChIKey is PKNHETGZFWLVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO2/c1-2-8(12)5-3-6(10)7(11)4-9(5)13/h3-4,13H,2H2,1H3.
What are the key properties of 1-(5-chloro-4-fluoro-2-hydroxyphenyl)propan-1-one?
1-(5-chloro-4-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-(5-chloro-4-fluoro-2-hydroxyphenyl)propan-1-one is sourced from PubChem (CID 82717648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).