1-(5-chloro-2-fluorophenyl)-2-(2,5-dimethylphenyl)ethanol

C16H16ClFO — CID 55149164

IUPAC1-(5-chloro-2-fluorophenyl)-2-(2,5-dimethylphenyl)ethanol
SMILESCc1ccc(C)c(CC(O)c2cc(Cl)ccc2F)c1
InChIInChI=1S/C16H16ClFO/c1-10-3-4-11(2)12(7-10)8-16(19)14-9-13(17)5-6-15(14)18/h3-7,9,16,19H,8H2,1-2H3
InChIKeyAHBSBEJVMPEMAU-UHFFFAOYSA-N
MW278.75 g/mol
LogP4.37
Rot. Bonds3

About 1-(5-chloro-2-fluorophenyl)-2-(2,5-dimethylphenyl)ethanol

1-(5-chloro-2-fluorophenyl)-2-(2,5-dimethylphenyl)ethanol (PubChem CID 55149164) has the molecular formula C16H16ClFO and a molecular weight of 278.75 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-2-(2,5-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-2-(2,5-dimethylphenyl)ethanol
PubChem CID55149164
Molecular FormulaC16H16ClFO
Molecular Weight278.75 g/mol
Exact Mass278.09
IUPAC Name1-(5-chloro-2-fluorophenyl)-2-(2,5-dimethylphenyl)ethanol
SMILESCc1ccc(C)c(CC(O)c2cc(Cl)ccc2F)c1
InChIInChI=1S/C16H16ClFO/c1-10-3-4-11(2)12(7-10)8-16(19)14-9-13(17)5-6-15(14)18/h3-7,9,16,19H,8H2,1-2H3
InChIKeyAHBSBEJVMPEMAU-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

1-(2-amino-4-chlorophenyl)-2-(2,5-dimethylphenyl)ethanol
CID 64916180
2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 106868133
2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanol
CID 61482044
2-(2-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 115831225
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanol
CID 106866248
2-(2,5-dimethylphenyl)-1-(2,4,6-trifluorophenyl)ethanol
CID 62538036
1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol
CID 63427104
1-(4-chloro-2,5-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377673
2-(5-chloro-2-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 103048202
2-(2,5-dimethylphenyl)-1-(4-methylphenyl)ethanol
CID 61481687
2-(2-bromo-4-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 115787001
2-(2,5-dimethylphenyl)-1-naphthalen-1-ylethanol
CID 63411264

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-2-(2,5-dimethylphenyl)ethanol?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-2-(2,5-dimethylphenyl)ethanol (CID 55149164) is 1-(5-chloro-2-fluorophenyl)-2-(2,5-dimethylphenyl)ethanol.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-2-(2,5-dimethylphenyl)ethanol?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-2-(2,5-dimethylphenyl)ethanol is Cc1ccc(C)c(CC(O)c2cc(Cl)ccc2F)c1.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-2-(2,5-dimethylphenyl)ethanol?
The InChIKey is AHBSBEJVMPEMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO/c1-10-3-4-11(2)12(7-10)8-16(19)14-9-13(17)5-6-15(14)18/h3-7,9,16,19H,8H2,1-2H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-2-(2,5-dimethylphenyl)ethanol?
1-(5-chloro-2-fluorophenyl)-2-(2,5-dimethylphenyl)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 1-(5-chloro-2-fluorophenyl)-2-(2,5-dimethylphenyl)ethanol is sourced from PubChem (CID 55149164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).