2-(2,5-difluorophenoxy)-1-(3,4-dimethylphenyl)ethanol

C16H16F2O2 — CID 63269758

IUPAC2-(2,5-difluorophenoxy)-1-(3,4-dimethylphenyl)ethanol
SMILESCc1ccc(C(O)COc2cc(F)ccc2F)cc1C
InChIInChI=1S/C16H16F2O2/c1-10-3-4-12(7-11(10)2)15(19)9-20-16-8-13(17)5-6-14(16)18/h3-8,15,19H,9H2,1-2H3
InChIKeyAVVVJUKKMAOCHL-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.69
Rot. Bonds4

About 2-(2,5-difluorophenoxy)-1-(3,4-dimethylphenyl)ethanol

2-(2,5-difluorophenoxy)-1-(3,4-dimethylphenyl)ethanol (PubChem CID 63269758) has the molecular formula C16H16F2O2 and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-(2,5-difluorophenoxy)-1-(3,4-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-(2,5-difluorophenoxy)-1-(3,4-dimethylphenyl)ethanol
PubChem CID63269758
Molecular FormulaC16H16F2O2
Molecular Weight278.30 g/mol
Exact Mass278.11
IUPAC Name2-(2,5-difluorophenoxy)-1-(3,4-dimethylphenyl)ethanol
SMILESCc1ccc(C(O)COc2cc(F)ccc2F)cc1C
InChIInChI=1S/C16H16F2O2/c1-10-3-4-12(7-11(10)2)15(19)9-20-16-8-13(17)5-6-14(16)18/h3-8,15,19H,9H2,1-2H3
InChIKeyAVVVJUKKMAOCHL-UHFFFAOYSA-N
XLogP3.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-2-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 102977758
2-(2,5-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanol
CID 109415720
2-(2-fluoro-5-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 64854475
2-(4-chlorophenoxy)-1-(3,4-dimethylphenyl)ethanol
CID 105091612
1-(3-aminophenyl)-2-(2-fluoro-5-methylphenoxy)ethanol
CID 64855761
1-amino-3-(2,5-difluorophenoxy)propan-2-ol
CID 63269333
1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372805
1-(3,4-dimethylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanol
CID 66275709
1-(4-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol
CID 109414138
3-[2-(3-fluoro-4-methoxyphenyl)-2-hydroxyethoxy]-4-methylbenzonitrile
CID 109416668
3-[2-(3,4-difluorophenyl)-2-hydroxyethoxy]-N,N,4-trimethylbenzamide
CID 109416246
1-(2,5-difluorophenyl)-2-(2-fluorophenoxy)ethanol
CID 109412674

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenoxy)-1-(3,4-dimethylphenyl)ethanol?
The IUPAC name of 2-(2,5-difluorophenoxy)-1-(3,4-dimethylphenyl)ethanol (CID 63269758) is 2-(2,5-difluorophenoxy)-1-(3,4-dimethylphenyl)ethanol.
What is the SMILES notation for 2-(2,5-difluorophenoxy)-1-(3,4-dimethylphenyl)ethanol?
The canonical SMILES for 2-(2,5-difluorophenoxy)-1-(3,4-dimethylphenyl)ethanol is Cc1ccc(C(O)COc2cc(F)ccc2F)cc1C.
What is the InChIKey of 2-(2,5-difluorophenoxy)-1-(3,4-dimethylphenyl)ethanol?
The InChIKey is AVVVJUKKMAOCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O2/c1-10-3-4-12(7-11(10)2)15(19)9-20-16-8-13(17)5-6-14(16)18/h3-8,15,19H,9H2,1-2H3.
What are the key properties of 2-(2,5-difluorophenoxy)-1-(3,4-dimethylphenyl)ethanol?
2-(2,5-difluorophenoxy)-1-(3,4-dimethylphenyl)ethanol has a molecular weight of 278.30 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenoxy)-1-(3,4-dimethylphenyl)ethanol is sourced from PubChem (CID 63269758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).