2-(4-chlorophenoxy)-1-(2,6-difluoro-3-methylphenyl)ethanol

C15H13ClF2O2 — CID 105121637

IUPAC2-(4-chlorophenoxy)-1-(2,6-difluoro-3-methylphenyl)ethanol
SMILESCc1ccc(F)c(C(O)COc2ccc(Cl)cc2)c1F
InChIInChI=1S/C15H13ClF2O2/c1-9-2-7-12(17)14(15(9)18)13(19)8-20-11-5-3-10(16)4-6-11/h2-7,13,19H,8H2,1H3
InChIKeyYYKRRUZIEUHKTF-UHFFFAOYSA-N
MW298.72 g/mol
LogP4.04
Rot. Bonds4

About 2-(4-chlorophenoxy)-1-(2,6-difluoro-3-methylphenyl)ethanol

2-(4-chlorophenoxy)-1-(2,6-difluoro-3-methylphenyl)ethanol (PubChem CID 105121637) has the molecular formula C15H13ClF2O2 and a molecular weight of 298.72 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(2,6-difluoro-3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(2,6-difluoro-3-methylphenyl)ethanol
PubChem CID105121637
Molecular FormulaC15H13ClF2O2
Molecular Weight298.72 g/mol
Exact Mass298.06
IUPAC Name2-(4-chlorophenoxy)-1-(2,6-difluoro-3-methylphenyl)ethanol
SMILESCc1ccc(F)c(C(O)COc2ccc(Cl)cc2)c1F
InChIInChI=1S/C15H13ClF2O2/c1-9-2-7-12(17)14(15(9)18)13(19)8-20-11-5-3-10(16)4-6-11/h2-7,13,19H,8H2,1H3
InChIKeyYYKRRUZIEUHKTF-UHFFFAOYSA-N
XLogP4.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.72
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenoxy)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 105121642
2-(4-chlorophenoxy)-1-(3,4-dimethylphenyl)ethanol
CID 105091612
2-(4-chlorophenoxy)-1-(2-methylphenyl)ethanol
CID 113338071
2-(4-chlorophenoxy)-1-(3-methylthiophen-2-yl)ethanol
CID 105112926
2-(4-chlorophenoxy)-1-(2,3-difluoro-4-methylphenyl)ethanamine
CID 107515309
2-(3-chlorophenoxy)-1-(2-fluoro-4,6-dimethylphenyl)ethanol
CID 106884046
2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 82816292
4-[2-(2,6-difluorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide
CID 109416261
2-(4-chlorophenoxy)-1-(3-chlorothiophen-2-yl)ethanol
CID 107361953
1-(2,6-difluoro-3-methylphenyl)-2-phenoxyethanamine
CID 82822133
2-(4-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 107130057
1-(2,6-difluoro-3-methylphenyl)-3-(3-methylphenoxy)propan-1-ol
CID 105121745

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(2,6-difluoro-3-methylphenyl)ethanol?
The IUPAC name of 2-(4-chlorophenoxy)-1-(2,6-difluoro-3-methylphenyl)ethanol (CID 105121637) is 2-(4-chlorophenoxy)-1-(2,6-difluoro-3-methylphenyl)ethanol.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(2,6-difluoro-3-methylphenyl)ethanol?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(2,6-difluoro-3-methylphenyl)ethanol is Cc1ccc(F)c(C(O)COc2ccc(Cl)cc2)c1F.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(2,6-difluoro-3-methylphenyl)ethanol?
The InChIKey is YYKRRUZIEUHKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2O2/c1-9-2-7-12(17)14(15(9)18)13(19)8-20-11-5-3-10(16)4-6-11/h2-7,13,19H,8H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-1-(2,6-difluoro-3-methylphenyl)ethanol?
2-(4-chlorophenoxy)-1-(2,6-difluoro-3-methylphenyl)ethanol has a molecular weight of 298.72 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-(4-chlorophenoxy)-1-(2,6-difluoro-3-methylphenyl)ethanol is sourced from PubChem (CID 105121637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).