1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxyphenyl]ethanone

C15H10ClF3O2 — CID 170759695

IUPAC1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxyphenyl]ethanone
SMILESCC(=O)c1cccc(O)c1-c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H10ClF3O2/c1-8(20)10-3-2-4-13(21)14(10)9-5-6-12(16)11(7-9)15(17,18)19/h2-7,21H,1H3
InChIKeyQBMOHKAGQOBRBT-UHFFFAOYSA-N
MW314.69 g/mol
LogP4.93
Rot. Bonds2

About 1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxyphenyl]ethanone

1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxyphenyl]ethanone (PubChem CID 170759695) has the molecular formula C15H10ClF3O2 and a molecular weight of 314.69 g/mol. Its IUPAC name is 1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxyphenyl]ethanone
PubChem CID170759695
Molecular FormulaC15H10ClF3O2
Molecular Weight314.69 g/mol
Exact Mass314.03
IUPAC Name1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxyphenyl]ethanone
SMILESCC(=O)c1cccc(O)c1-c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H10ClF3O2/c1-8(20)10-3-2-4-13(21)14(10)9-5-6-12(16)11(7-9)15(17,18)19/h2-7,21H,1H3
InChIKeyQBMOHKAGQOBRBT-UHFFFAOYSA-N
XLogP4.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.69
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-chloro-3-(trifluoromethyl)phenyl]-6-fluoro-3-hydroxybenzaldehyde
CID 170759596
1-[4-(2,5-dichlorophenyl)-2-(trifluoromethyl)phenyl]ethanone
CID 175647095
1-[2,4-dichloro-5-(trifluoromethyl)phenyl]ethanone
CID 119002578
2-amino-5-[4-chloro-3-(trifluoromethyl)phenyl]benzoic acid
CID 23005098
1-[4-(2,3-dimethylphenyl)-2-(trifluoromethyl)phenyl]ethanone
CID 175647081
1,2-dichloro-4-[4-chloro-3-(trifluoromethyl)phenyl]benzene
CID 118805005
1-[2-bromo-5-chloro-4-(trifluoromethyl)phenyl]ethanone
CID 121227611
1-[4-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)phenyl]ethanone
CID 175647106
2-[1-[4-chloro-3-(trifluoromethyl)phenyl]-2-methylpropan-2-yl]-4-hydroxyisoindole-1,3-dione
CID 123137994
1-[2-bromo-3-(trifluoromethyl)phenyl]ethanone
CID 58572634
1-[2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]phenyl]ethanone
CID 175647118
N-(2-acetylphenyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7363976

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxyphenyl]ethanone?
The IUPAC name of 1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxyphenyl]ethanone (CID 170759695) is 1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxyphenyl]ethanone is CC(=O)c1cccc(O)c1-c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxyphenyl]ethanone?
The InChIKey is QBMOHKAGQOBRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3O2/c1-8(20)10-3-2-4-13(21)14(10)9-5-6-12(16)11(7-9)15(17,18)19/h2-7,21H,1H3.
What are the key properties of 1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxyphenyl]ethanone?
1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxyphenyl]ethanone has a molecular weight of 314.69 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3-hydroxyphenyl]ethanone is sourced from PubChem (CID 170759695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).