2-(3-chloro-4-fluorophenyl)-2-hydroxy-1-phenylethanone

C14H10ClFO2 — CID 18701482

IUPAC2-(3-chloro-4-fluorophenyl)-2-hydroxy-1-phenylethanone
SMILESO=C(c1ccccc1)C(O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H10ClFO2/c15-11-8-10(6-7-12(11)16)14(18)13(17)9-4-2-1-3-5-9/h1-8,14,18H
InChIKeyHIHTZCMDFJSFDT-UHFFFAOYSA-N
MW264.68 g/mol
LogP3.40
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)-2-hydroxy-1-phenylethanone

2-(3-chloro-4-fluorophenyl)-2-hydroxy-1-phenylethanone (PubChem CID 18701482) has the molecular formula C14H10ClFO2 and a molecular weight of 264.68 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-2-hydroxy-1-phenylethanone.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-2-hydroxy-1-phenylethanone
PubChem CID18701482
Molecular FormulaC14H10ClFO2
Molecular Weight264.68 g/mol
Exact Mass264.04
IUPAC Name2-(3-chloro-4-fluorophenyl)-2-hydroxy-1-phenylethanone
SMILESO=C(c1ccccc1)C(O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H10ClFO2/c15-11-8-10(6-7-12(11)16)14(18)13(17)9-4-2-1-3-5-9/h1-8,14,18H
InChIKeyHIHTZCMDFJSFDT-UHFFFAOYSA-N
XLogP3.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.68
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)-2-hydroxy-1-phenylethanone
CID 22004300
2-hydroxy-1,2-diphenylethanone
CID 159399559
2-hydroxy-1-phenyl-2-(4-propan-2-ylphenyl)ethanone
CID 23513084
ethyl 2-(3-chloro-4-fluorophenyl)-2-hydroxyacetate
CID 81166639
formaldehyde;bis(2-hydroxy-1,2-diphenylethanone)
CID 174440021
deuterium monohydride;2-hydroxy-1,2-diphenylethanone
CID 158356694
2-amino-3-(3-chloro-4-fluorophenyl)-3-hydroxypropanoic acid
CID 81155550
2-chloro-2-(4-chlorophenyl)-1-phenylethanone
CID 14247251
(3R,4S)-4-(3-chloro-4-fluorophenyl)-3,4-dihydroxybutan-2-one
CID 101434989
3-(3-chloro-4-fluorophenyl)-3-oxo-2-phenylpropanenitrile
CID 82875579
2-hydroxy-1,2-diphenylethanone;silyloxysilane
CID 173133276
2-hydroxy-2-(4-methoxy-3-methylphenyl)-1-phenylethanone
CID 129094734

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-2-hydroxy-1-phenylethanone?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-2-hydroxy-1-phenylethanone (CID 18701482) is 2-(3-chloro-4-fluorophenyl)-2-hydroxy-1-phenylethanone.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-2-hydroxy-1-phenylethanone?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-2-hydroxy-1-phenylethanone is O=C(c1ccccc1)C(O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-2-hydroxy-1-phenylethanone?
The InChIKey is HIHTZCMDFJSFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFO2/c15-11-8-10(6-7-12(11)16)14(18)13(17)9-4-2-1-3-5-9/h1-8,14,18H.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-2-hydroxy-1-phenylethanone?
2-(3-chloro-4-fluorophenyl)-2-hydroxy-1-phenylethanone has a molecular weight of 264.68 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-2-hydroxy-1-phenylethanone is sourced from PubChem (CID 18701482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).