2-(2,6-dimethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol

C17H19FO2 — CID 115828418

IUPAC2-(2,6-dimethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol
SMILESCOc1cc(C(O)Cc2c(C)cccc2C)ccc1F
InChIInChI=1S/C17H19FO2/c1-11-5-4-6-12(2)14(11)10-16(19)13-7-8-15(18)17(9-13)20-3/h4-9,16,19H,10H2,1-3H3
InChIKeyRFRYTOAMBXVFEP-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.73
Rot. Bonds4

About 2-(2,6-dimethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol

2-(2,6-dimethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol (PubChem CID 115828418) has the molecular formula C17H19FO2 and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol
PubChem CID115828418
Molecular FormulaC17H19FO2
Molecular Weight274.34 g/mol
Exact Mass274.14
IUPAC Name2-(2,6-dimethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol
SMILESCOc1cc(C(O)Cc2c(C)cccc2C)ccc1F
InChIInChI=1S/C17H19FO2/c1-11-5-4-6-12(2)14(11)10-16(19)13-7-8-15(18)17(9-13)20-3/h4-9,16,19H,10H2,1-3H3
InChIKeyRFRYTOAMBXVFEP-UHFFFAOYSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol
CID 115832675
1-(4-fluoro-3-methoxyphenyl)nonan-1-ol
CID 115783950
1-(3,4-difluorophenyl)-2-(2-methoxyphenyl)ethanol
CID 61089068
1-(4-fluoro-3-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 62160340
2-(3-chloro-2-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanol
CID 102867481
(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methanol
CID 114977925
1-(4-fluoro-3-methoxyphenyl)-3-methylbut-3-en-1-ol
CID 115816783
1-(4-fluoro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 63410710
2-[2-chloro-2-(4-fluoro-3-methoxyphenyl)ethyl]-1,3-difluorobenzene
CID 81284969
2-(2,6-dimethylphenyl)-1-(2-methoxy-4-methylphenyl)ethanol
CID 106791042
1-(4-fluoro-3-methoxyphenyl)-3-methylidenepentan-1-ol
CID 115817518
1-(3-bromo-4-methoxyphenyl)-2-(2-fluorophenyl)ethanol
CID 61100130

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol?
The IUPAC name of 2-(2,6-dimethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol (CID 115828418) is 2-(2,6-dimethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol?
The canonical SMILES for 2-(2,6-dimethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol is COc1cc(C(O)Cc2c(C)cccc2C)ccc1F.
What is the InChIKey of 2-(2,6-dimethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol?
The InChIKey is RFRYTOAMBXVFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO2/c1-11-5-4-6-12(2)14(11)10-16(19)13-7-8-15(18)17(9-13)20-3/h4-9,16,19H,10H2,1-3H3.
What are the key properties of 2-(2,6-dimethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol?
2-(2,6-dimethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol has a molecular weight of 274.34 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-1-(4-fluoro-3-methoxyphenyl)ethanol is sourced from PubChem (CID 115828418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).