1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanol

C16H16F2O — CID 62802583

IUPAC1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanol
SMILESCc1cc(C)cc(CC(O)c2cc(F)ccc2F)c1
InChIInChI=1S/C16H16F2O/c1-10-5-11(2)7-12(6-10)8-16(19)14-9-13(17)3-4-15(14)18/h3-7,9,16,19H,8H2,1-2H3
InChIKeyIBDSZUYYFJMYNH-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.86
Rot. Bonds3

About 1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanol

1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanol (PubChem CID 62802583) has the molecular formula C16H16F2O and a molecular weight of 262.30 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanol
PubChem CID62802583
Molecular FormulaC16H16F2O
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanol
SMILESCc1cc(C)cc(CC(O)c2cc(F)ccc2F)c1
InChIInChI=1S/C16H16F2O/c1-10-5-11(2)7-12(6-10)8-16(19)14-9-13(17)3-4-15(14)18/h3-7,9,16,19H,8H2,1-2H3
InChIKeyIBDSZUYYFJMYNH-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-difluorophenyl)-2-(4-methylphenyl)ethanol
CID 61099597
1-(2,5-difluorophenyl)-2-(4-fluorophenyl)ethanol
CID 61100110
1-(2,5-difluorophenyl)-2-phenylethanol
CID 61101479
1-(2,5-difluorophenyl)-3-methylbutan-1-ol
CID 61100112
1-(2,5-difluorophenyl)pent-3-yn-1-ol
CID 63673084
1-(2,5-difluorophenyl)-2-(methylamino)ethanol
CID 60904118
2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanol
CID 114852109
3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 64989517
(1R)-3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 93182256
1-(2-fluoro-5-methylphenyl)-2-pyridin-4-ylethanol
CID 62791168
1-(2-amino-5-fluorophenyl)-2-(3-methylphenyl)ethanol
CID 82684970
1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)ethanol
CID 60918138

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanol?
The IUPAC name of 1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanol (CID 62802583) is 1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanol?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanol is Cc1cc(C)cc(CC(O)c2cc(F)ccc2F)c1.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanol?
The InChIKey is IBDSZUYYFJMYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O/c1-10-5-11(2)7-12(6-10)8-16(19)14-9-13(17)3-4-15(14)18/h3-7,9,16,19H,8H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanol?
1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanol has a molecular weight of 262.30 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanol is sourced from PubChem (CID 62802583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).