4-chloro-2-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenol

C15H12ClF3O2 — CID 13076846

IUPAC4-chloro-2-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenol
SMILESCC(O)(c1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C15H12ClF3O2/c1-14(21,12-8-11(16)5-6-13(12)20)9-3-2-4-10(7-9)15(17,18)19/h2-8,20-21H,1H3
InChIKeyJUIRKPHAGDBPKG-UHFFFAOYSA-N
MW316.71 g/mol
LogP4.32
Rot. Bonds2

About 4-chloro-2-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenol

4-chloro-2-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenol (PubChem CID 13076846) has the molecular formula C15H12ClF3O2 and a molecular weight of 316.71 g/mol. Its IUPAC name is 4-chloro-2-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenol
PubChem CID13076846
Molecular FormulaC15H12ClF3O2
Molecular Weight316.71 g/mol
Exact Mass316.05
IUPAC Name4-chloro-2-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenol
SMILESCC(O)(c1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C15H12ClF3O2/c1-14(21,12-8-11(16)5-6-13(12)20)9-3-2-4-10(7-9)15(17,18)19/h2-8,20-21H,1H3
InChIKeyJUIRKPHAGDBPKG-UHFFFAOYSA-N
XLogP4.32
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.71
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(1-hydroxy-1-phenylethyl)phenol
CID 12812396
1-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanol
CID 62802085
1-(3-chlorophenyl)-1-(2-fluoro-5-methylphenyl)ethanol
CID 62787274
1-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62787437
1-(2,5-dichlorophenyl)-1-phenylethanol
CID 62786924
1-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62787446
4-chloro-2-(1-hydroxy-1-phenylpropyl)phenol
CID 13076854
1-(3-chlorophenyl)-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanol
CID 106971459
CID 68547080
CID 68547080
(1S)-1-(3-chlorophenyl)-1-fluoroethanol
CID 175477647
1,1,2,2-tetrakis[3-(trifluoromethyl)phenyl]ethane-1,2-diol
CID 3857608
1-(2,5-difluorophenyl)-1-(3-methylphenyl)ethanol
CID 62801933

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenol?
The IUPAC name of 4-chloro-2-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenol (CID 13076846) is 4-chloro-2-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenol.
What is the SMILES notation for 4-chloro-2-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenol?
The canonical SMILES for 4-chloro-2-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenol is CC(O)(c1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenol?
The InChIKey is JUIRKPHAGDBPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3O2/c1-14(21,12-8-11(16)5-6-13(12)20)9-3-2-4-10(7-9)15(17,18)19/h2-8,20-21H,1H3.
What are the key properties of 4-chloro-2-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenol?
4-chloro-2-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenol has a molecular weight of 316.71 g/mol, XLogP of 4.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]phenol is sourced from PubChem (CID 13076846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).