2-ethoxy-1-(3-fluoro-5-methylphenyl)-2-phenylethanol

C17H19FO2 — CID 116757127

IUPAC2-ethoxy-1-(3-fluoro-5-methylphenyl)-2-phenylethanol
SMILESCCOC(c1ccccc1)C(O)c1cc(C)cc(F)c1
InChIInChI=1S/C17H19FO2/c1-3-20-17(13-7-5-4-6-8-13)16(19)14-9-12(2)10-15(18)11-14/h4-11,16-17,19H,3H2,1-2H3
InChIKeyPYWLPJHGPXQZCC-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.95
Rot. Bonds5

About 2-ethoxy-1-(3-fluoro-5-methylphenyl)-2-phenylethanol

2-ethoxy-1-(3-fluoro-5-methylphenyl)-2-phenylethanol (PubChem CID 116757127) has the molecular formula C17H19FO2 and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-ethoxy-1-(3-fluoro-5-methylphenyl)-2-phenylethanol.

Molecular Properties

Compound Name2-ethoxy-1-(3-fluoro-5-methylphenyl)-2-phenylethanol
PubChem CID116757127
Molecular FormulaC17H19FO2
Molecular Weight274.33 g/mol
Exact Mass274.14
IUPAC Name2-ethoxy-1-(3-fluoro-5-methylphenyl)-2-phenylethanol
SMILESCCOC(c1ccccc1)C(O)c1cc(C)cc(F)c1
InChIInChI=1S/C17H19FO2/c1-3-20-17(13-7-5-4-6-8-13)16(19)14-9-12(2)10-15(18)11-14/h4-11,16-17,19H,3H2,1-2H3
InChIKeyPYWLPJHGPXQZCC-UHFFFAOYSA-N
XLogP3.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-5-methylphenyl)-2-methoxy-2-phenylethanol
CID 116756883
2-ethoxy-1,2-diphenylethanol
CID 3767197
1-(3,4-difluorophenyl)-2-ethoxy-2-phenylethanol
CID 116757203
2-ethoxy-1-(3-fluoro-5-methylphenyl)propan-1-ol
CID 79704820
1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanol
CID 116757204
2-ethoxy-2-phenyl-1-(2,4,5-trimethylphenyl)ethanol
CID 116757043
2-ethoxy-1-(4-methoxyphenyl)-2-phenylethanol
CID 116757104
1-(3,5-difluorophenyl)-2,2-diethoxyethanol
CID 79496044
2-ethoxy-1-(2-ethoxyphenyl)-2-phenylethanol
CID 116757235
ethyl (2S,3R)-2,3-diethoxy-3-phenylpropanoate
CID 91748652
1-(3-fluoro-5-methylphenyl)pentane-1,2-diol
CID 103454916
N-[(1S)-1-(3-fluoro-5-methylphenyl)ethyl]-N-methyl-1-phenylethanamine
CID 58819068

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(3-fluoro-5-methylphenyl)-2-phenylethanol?
The IUPAC name of 2-ethoxy-1-(3-fluoro-5-methylphenyl)-2-phenylethanol (CID 116757127) is 2-ethoxy-1-(3-fluoro-5-methylphenyl)-2-phenylethanol.
What is the SMILES notation for 2-ethoxy-1-(3-fluoro-5-methylphenyl)-2-phenylethanol?
The canonical SMILES for 2-ethoxy-1-(3-fluoro-5-methylphenyl)-2-phenylethanol is CCOC(c1ccccc1)C(O)c1cc(C)cc(F)c1.
What is the InChIKey of 2-ethoxy-1-(3-fluoro-5-methylphenyl)-2-phenylethanol?
The InChIKey is PYWLPJHGPXQZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO2/c1-3-20-17(13-7-5-4-6-8-13)16(19)14-9-12(2)10-15(18)11-14/h4-11,16-17,19H,3H2,1-2H3.
What are the key properties of 2-ethoxy-1-(3-fluoro-5-methylphenyl)-2-phenylethanol?
2-ethoxy-1-(3-fluoro-5-methylphenyl)-2-phenylethanol has a molecular weight of 274.33 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(3-fluoro-5-methylphenyl)-2-phenylethanol is sourced from PubChem (CID 116757127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).