2-(2-chloro-4-methylphenyl)-1-(5-fluoro-2-methylphenyl)ethanol

C16H16ClFO — CID 106867292

IUPAC2-(2-chloro-4-methylphenyl)-1-(5-fluoro-2-methylphenyl)ethanol
SMILESCc1ccc(CC(O)c2cc(F)ccc2C)c(Cl)c1
InChIInChI=1S/C16H16ClFO/c1-10-3-5-12(15(17)7-10)8-16(19)14-9-13(18)6-4-11(14)2/h3-7,9,16,19H,8H2,1-2H3
InChIKeyJQUNNJKKRJUOGB-UHFFFAOYSA-N
MW278.75 g/mol
LogP4.37
Rot. Bonds3

About 2-(2-chloro-4-methylphenyl)-1-(5-fluoro-2-methylphenyl)ethanol

2-(2-chloro-4-methylphenyl)-1-(5-fluoro-2-methylphenyl)ethanol (PubChem CID 106867292) has the molecular formula C16H16ClFO and a molecular weight of 278.75 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-(5-fluoro-2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-(5-fluoro-2-methylphenyl)ethanol
PubChem CID106867292
Molecular FormulaC16H16ClFO
Molecular Weight278.75 g/mol
Exact Mass278.09
IUPAC Name2-(2-chloro-4-methylphenyl)-1-(5-fluoro-2-methylphenyl)ethanol
SMILESCc1ccc(CC(O)c2cc(F)ccc2C)c(Cl)c1
InChIInChI=1S/C16H16ClFO/c1-10-3-5-12(15(17)7-10)8-16(19)14-9-13(18)6-4-11(14)2/h3-7,9,16,19H,8H2,1-2H3
InChIKeyJQUNNJKKRJUOGB-UHFFFAOYSA-N
XLogP4.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.75
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-4-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62607143
2-(2,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62607142
2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 106868133
1,2-bis(2-chloro-4-methylphenyl)ethanol
CID 106868189
2-(5-chloro-2-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 103048202
2-(3,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62607682
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanol
CID 106866248
2-(2-chloro-4-methylphenyl)-1-(2,3-dimethylphenyl)ethanol
CID 106866259
2-(2-bromo-4-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 115787001
1-(2-chloro-5-fluorophenyl)-2-(2-methylphenyl)ethanol
CID 105394441
2-(2-chloro-4-methylphenyl)-1-(2-methylsulfanylphenyl)ethanol
CID 106868019
2-(2-chloro-4-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 106866233

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(5-fluoro-2-methylphenyl)ethanol?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(5-fluoro-2-methylphenyl)ethanol (CID 106867292) is 2-(2-chloro-4-methylphenyl)-1-(5-fluoro-2-methylphenyl)ethanol.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-(5-fluoro-2-methylphenyl)ethanol?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-(5-fluoro-2-methylphenyl)ethanol is Cc1ccc(CC(O)c2cc(F)ccc2C)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-(5-fluoro-2-methylphenyl)ethanol?
The InChIKey is JQUNNJKKRJUOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO/c1-10-3-5-12(15(17)7-10)8-16(19)14-9-13(18)6-4-11(14)2/h3-7,9,16,19H,8H2,1-2H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-(5-fluoro-2-methylphenyl)ethanol?
2-(2-chloro-4-methylphenyl)-1-(5-fluoro-2-methylphenyl)ethanol has a molecular weight of 278.75 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-1-(5-fluoro-2-methylphenyl)ethanol is sourced from PubChem (CID 106867292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).