2-(5-chloro-2-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol

C15H12ClF3O2 — CID 115788665

IUPAC2-(5-chloro-2-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol
SMILESCOc1ccc(Cl)cc1CC(O)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H12ClF3O2/c1-21-13-5-2-9(16)6-8(13)7-12(20)10-3-4-11(17)15(19)14(10)18/h2-6,12,20H,7H2,1H3
InChIKeyRRRTVYRYOZJPSM-UHFFFAOYSA-N
MW316.71 g/mol
LogP4.04
Rot. Bonds4

About 2-(5-chloro-2-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol

2-(5-chloro-2-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol (PubChem CID 115788665) has the molecular formula C15H12ClF3O2 and a molecular weight of 316.71 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol
PubChem CID115788665
Molecular FormulaC15H12ClF3O2
Molecular Weight316.71 g/mol
Exact Mass316.05
IUPAC Name2-(5-chloro-2-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol
SMILESCOc1ccc(Cl)cc1CC(O)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H12ClF3O2/c1-21-13-5-2-9(16)6-8(13)7-12(20)10-3-4-11(17)15(19)14(10)18/h2-6,12,20H,7H2,1H3
InChIKeyRRRTVYRYOZJPSM-UHFFFAOYSA-N
XLogP4.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.71
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 63083648
2-(5-chloro-2-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 115788745
2-(5-chloro-2-methoxyphenyl)-1-(2,5-difluorophenyl)ethanol
CID 63661823
2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol
CID 115832717
1-(2-chloro-3-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 115788734
1-(4-bromo-2-methylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 115788606
2-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol
CID 82802069
2-(5-chloro-2-methoxyphenyl)-1-(2,3-dichlorophenyl)ethanol
CID 65148612
1-(5-chloro-2-fluorophenyl)-2-(2-methoxyphenyl)ethanol
CID 55151769
2-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)ethanol
CID 62607764
1-(3-bromo-5-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 66425619
1-(4-chloro-2-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 115782250

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol (CID 115788665) is 2-(5-chloro-2-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol is COc1ccc(Cl)cc1CC(O)c1ccc(F)c(F)c1F.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol?
The InChIKey is RRRTVYRYOZJPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3O2/c1-21-13-5-2-9(16)6-8(13)7-12(20)10-3-4-11(17)15(19)14(10)18/h2-6,12,20H,7H2,1H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol?
2-(5-chloro-2-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol has a molecular weight of 316.71 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol is sourced from PubChem (CID 115788665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).