2-(5-chloro-2-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)ethanol

C16H16ClFO2 — CID 115788745

IUPAC2-(5-chloro-2-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)ethanol
SMILESCOc1ccc(Cl)cc1CC(O)c1cccc(C)c1F
InChIInChI=1S/C16H16ClFO2/c1-10-4-3-5-13(16(10)18)14(19)9-11-8-12(17)6-7-15(11)20-2/h3-8,14,19H,9H2,1-2H3
InChIKeyZNFFUNISQGXWLV-UHFFFAOYSA-N
MW294.75 g/mol
LogP4.07
Rot. Bonds4

About 2-(5-chloro-2-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)ethanol

2-(5-chloro-2-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)ethanol (PubChem CID 115788745) has the molecular formula C16H16ClFO2 and a molecular weight of 294.75 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)ethanol
PubChem CID115788745
Molecular FormulaC16H16ClFO2
Molecular Weight294.75 g/mol
Exact Mass294.08
IUPAC Name2-(5-chloro-2-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)ethanol
SMILESCOc1ccc(Cl)cc1CC(O)c1cccc(C)c1F
InChIInChI=1S/C16H16ClFO2/c1-10-4-3-5-13(16(10)18)14(19)9-11-8-12(17)6-7-15(11)20-2/h3-8,14,19H,9H2,1-2H3
InChIKeyZNFFUNISQGXWLV-UHFFFAOYSA-N
XLogP4.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-3-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 115788734
2-(5-chloro-2-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol
CID 115788665
1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 63083648
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
2-(5-chloro-2-methoxyphenyl)-1-(2,5-difluorophenyl)ethanol
CID 63661823
2-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)ethanol
CID 62607764
1-(4-bromo-2-methylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 115788606
1-(5-chloro-2-fluorophenyl)-2-(2-methoxyphenyl)ethanol
CID 55151769
2-(4-chlorophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol
CID 82807893
1-(4-bromo-3,5-dimethylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 114330012
1-(3-chloro-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103047803

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)ethanol?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)ethanol (CID 115788745) is 2-(5-chloro-2-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)ethanol.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)ethanol?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)ethanol is COc1ccc(Cl)cc1CC(O)c1cccc(C)c1F.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)ethanol?
The InChIKey is ZNFFUNISQGXWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO2/c1-10-4-3-5-13(16(10)18)14(19)9-11-8-12(17)6-7-15(11)20-2/h3-8,14,19H,9H2,1-2H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)ethanol?
2-(5-chloro-2-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)ethanol has a molecular weight of 294.75 g/mol, XLogP of 4.07, 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-fluoro-3-methylphenyl)ethanol is sourced from PubChem (CID 115788745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).