1-(3,5-difluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol

C15H13F3O2 — CID 82769159

IUPAC1-(3,5-difluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol
SMILESCOc1ccc(F)cc1C(C)(O)c1cc(F)cc(F)c1
InChIInChI=1S/C15H13F3O2/c1-15(19,9-5-11(17)7-12(18)6-9)13-8-10(16)3-4-14(13)20-2/h3-8,19H,1-2H3
InChIKeyBVDWWEJQWJCEMI-UHFFFAOYSA-N
MW282.26 g/mol
LogP3.37
Rot. Bonds3

About 1-(3,5-difluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol

1-(3,5-difluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol (PubChem CID 82769159) has the molecular formula C15H13F3O2 and a molecular weight of 282.26 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol
PubChem CID82769159
Molecular FormulaC15H13F3O2
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC Name1-(3,5-difluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol
SMILESCOc1ccc(F)cc1C(C)(O)c1cc(F)cc(F)c1
InChIInChI=1S/C15H13F3O2/c1-15(19,9-5-11(17)7-12(18)6-9)13-8-10(16)3-4-14(13)20-2/h3-8,19H,1-2H3
InChIKeyBVDWWEJQWJCEMI-UHFFFAOYSA-N
XLogP3.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 82771079
1-(3,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 116809791
1-(5-fluoro-2-methoxyphenyl)-1-(2-fluorophenyl)ethanol
CID 82770802
1-(5-fluoro-2-methoxyphenyl)-1-(2-methylphenyl)ethanol
CID 82770234
1-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)ethanol
CID 62786766
(2S)-2-(5-fluoro-2-methoxyphenyl)butan-2-ol
CID 97294141
1-amino-2-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 79003647
1-(4-fluorophenyl)-1-(2-methoxyphenyl)ethanol
CID 60793238
1-(5-fluoro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol
CID 114872327
4-(5-fluoro-2-methoxyphenyl)pentane-1,4-diol
CID 116861530
2,2-difluoro-2-(5-fluoro-2-methoxyphenyl)acetaldehyde
CID 105455901
1-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)ethanol
CID 62787268

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol?
The IUPAC name of 1-(3,5-difluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol (CID 82769159) is 1-(3,5-difluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(3,5-difluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol?
The canonical SMILES for 1-(3,5-difluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol is COc1ccc(F)cc1C(C)(O)c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol?
The InChIKey is BVDWWEJQWJCEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O2/c1-15(19,9-5-11(17)7-12(18)6-9)13-8-10(16)3-4-14(13)20-2/h3-8,19H,1-2H3.
What are the key properties of 1-(3,5-difluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol?
1-(3,5-difluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol has a molecular weight of 282.26 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-1-(5-fluoro-2-methoxyphenyl)ethanol is sourced from PubChem (CID 82769159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).