1-(2-chloro-5-fluoro-4-hydroxyphenyl)ethanone

C8H6ClFO2 — CID 171003348

IUPAC1-(2-chloro-5-fluoro-4-hydroxyphenyl)ethanone
SMILESCC(=O)c1cc(F)c(O)cc1Cl
InChIInChI=1S/C8H6ClFO2/c1-4(11)5-2-7(10)8(12)3-6(5)9/h2-3,12H,1H3
InChIKeyGWYKKZCYBJBRCW-UHFFFAOYSA-N
MW188.58 g/mol
LogP2.39
Rot. Bonds1

About 1-(2-chloro-5-fluoro-4-hydroxyphenyl)ethanone

1-(2-chloro-5-fluoro-4-hydroxyphenyl)ethanone (PubChem CID 171003348) has the molecular formula C8H6ClFO2 and a molecular weight of 188.58 g/mol. Its IUPAC name is 1-(2-chloro-5-fluoro-4-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-5-fluoro-4-hydroxyphenyl)ethanone
PubChem CID171003348
Molecular FormulaC8H6ClFO2
Molecular Weight188.58 g/mol
Exact Mass188.00
IUPAC Name1-(2-chloro-5-fluoro-4-hydroxyphenyl)ethanone
SMILESCC(=O)c1cc(F)c(O)cc1Cl
InChIInChI=1S/C8H6ClFO2/c1-4(11)5-2-7(10)8(12)3-6(5)9/h2-3,12H,1H3
InChIKeyGWYKKZCYBJBRCW-UHFFFAOYSA-N
XLogP2.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.58
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-amino-5-fluoro-4-hydroxyphenyl)ethanone
CID 131333607
1-[5-fluoro-4-hydroxy-2-(trifluoromethyl)phenyl]ethanone
CID 171016157
1-(2,5-dichlorophenyl)ethanone;ethane
CID 145081107
2-chloro-5-fluorobenzene-1,4-diol
CID 45119169
1-(4-chloro-2,3,5-trifluorophenyl)ethanone
CID 117112116
1-(4-chloro-2-fluorophenyl)ethanone;ethane
CID 142194505
1-(2-chloro-4-fluoro-5-nitrophenyl)ethanone
CID 18314484
methyl 4-chloro-5-fluoro-2-hydroxybenzoate
CID 131313356
1-(4-bromo-5-fluoro-2-hydroxyphenyl)ethanone
CID 53402856
1-[2-chloro-4-(4-chloro-2-fluorophenyl)phenyl]ethanone
CID 82782556
1-(5-amino-4-chloro-2-fluorophenyl)ethanone
CID 131597067
1-[2,4-dichloro-5-(trifluoromethyl)phenyl]ethanone
CID 119002578

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluoro-4-hydroxyphenyl)ethanone?
The IUPAC name of 1-(2-chloro-5-fluoro-4-hydroxyphenyl)ethanone (CID 171003348) is 1-(2-chloro-5-fluoro-4-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(2-chloro-5-fluoro-4-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(2-chloro-5-fluoro-4-hydroxyphenyl)ethanone is CC(=O)c1cc(F)c(O)cc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluoro-4-hydroxyphenyl)ethanone?
The InChIKey is GWYKKZCYBJBRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFO2/c1-4(11)5-2-7(10)8(12)3-6(5)9/h2-3,12H,1H3.
What are the key properties of 1-(2-chloro-5-fluoro-4-hydroxyphenyl)ethanone?
1-(2-chloro-5-fluoro-4-hydroxyphenyl)ethanone has a molecular weight of 188.58 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluoro-4-hydroxyphenyl)ethanone is sourced from PubChem (CID 171003348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).