(5-chloro-2-hydroxyphenyl)-[3-(trifluoromethylsulfanyl)phenyl]methanone

C14H8ClF3O2S — CID 58962464

IUPAC(5-chloro-2-hydroxyphenyl)-[3-(trifluoromethylsulfanyl)phenyl]methanone
SMILESO=C(c1cccc(SC(F)(F)F)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C14H8ClF3O2S/c15-9-4-5-12(19)11(7-9)13(20)8-2-1-3-10(6-8)21-14(16,17)18/h1-7,19H
InChIKeyWGXWDJBWNJCOQN-UHFFFAOYSA-N
MW332.73 g/mol
LogP4.89
Rot. Bonds3

About (5-chloro-2-hydroxyphenyl)-[3-(trifluoromethylsulfanyl)phenyl]methanone

(5-chloro-2-hydroxyphenyl)-[3-(trifluoromethylsulfanyl)phenyl]methanone (PubChem CID 58962464) has the molecular formula C14H8ClF3O2S and a molecular weight of 332.73 g/mol. Its IUPAC name is (5-chloro-2-hydroxyphenyl)-[3-(trifluoromethylsulfanyl)phenyl]methanone.

Molecular Properties

Compound Name(5-chloro-2-hydroxyphenyl)-[3-(trifluoromethylsulfanyl)phenyl]methanone
PubChem CID58962464
Molecular FormulaC14H8ClF3O2S
Molecular Weight332.73 g/mol
Exact Mass331.99
IUPAC Name(5-chloro-2-hydroxyphenyl)-[3-(trifluoromethylsulfanyl)phenyl]methanone
SMILESO=C(c1cccc(SC(F)(F)F)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C14H8ClF3O2S/c15-9-4-5-12(19)11(7-9)13(20)8-2-1-3-10(6-8)21-14(16,17)18/h1-7,19H
InChIKeyWGXWDJBWNJCOQN-UHFFFAOYSA-N
XLogP4.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.73
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-hydroxyphenyl)-(3,5-dichlorophenyl)methanone
CID 58962676
(5-chloro-2-fluorophenyl)-(3-chlorophenyl)methanone
CID 112694065
(3-chlorophenyl)-(4,5-dichloro-2-hydroxyphenyl)methanone
CID 70624009
1-[3-(trifluoromethylsulfanyl)phenyl]propan-1-one
CID 21325272
(2,4-dichlorophenyl)-(3-methylsulfanylphenyl)methanone
CID 146007568
1-(5-chloro-2-hydroxyphenyl)-3-(3-fluorophenyl)propane-1,3-dione
CID 776185
(5-chloro-2-hydroxyphenyl)-[4-hydroxy-3-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]methanone
CID 139223403
(5-chloro-2-hydroxyphenyl)-(3-chloro-5-methylphenyl)methanone
CID 11594340
(2,4-dichlorophenyl)-(3-fluorophenyl)methanone
CID 61271846
3-[dichloro(fluoro)methyl]sulfanylbenzoyl fluoride
CID 22160394
(3-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 62802145
N-methoxy-N-methyl-3-(trifluoromethylsulfanyl)benzamide
CID 58962540

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-hydroxyphenyl)-[3-(trifluoromethylsulfanyl)phenyl]methanone?
The IUPAC name of (5-chloro-2-hydroxyphenyl)-[3-(trifluoromethylsulfanyl)phenyl]methanone (CID 58962464) is (5-chloro-2-hydroxyphenyl)-[3-(trifluoromethylsulfanyl)phenyl]methanone.
What is the SMILES notation for (5-chloro-2-hydroxyphenyl)-[3-(trifluoromethylsulfanyl)phenyl]methanone?
The canonical SMILES for (5-chloro-2-hydroxyphenyl)-[3-(trifluoromethylsulfanyl)phenyl]methanone is O=C(c1cccc(SC(F)(F)F)c1)c1cc(Cl)ccc1O.
What is the InChIKey of (5-chloro-2-hydroxyphenyl)-[3-(trifluoromethylsulfanyl)phenyl]methanone?
The InChIKey is WGXWDJBWNJCOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3O2S/c15-9-4-5-12(19)11(7-9)13(20)8-2-1-3-10(6-8)21-14(16,17)18/h1-7,19H.
What are the key properties of (5-chloro-2-hydroxyphenyl)-[3-(trifluoromethylsulfanyl)phenyl]methanone?
(5-chloro-2-hydroxyphenyl)-[3-(trifluoromethylsulfanyl)phenyl]methanone has a molecular weight of 332.73 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-hydroxyphenyl)-[3-(trifluoromethylsulfanyl)phenyl]methanone is sourced from PubChem (CID 58962464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).