1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanol

C16H16F2O2 — CID 116757204

IUPAC1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanol
SMILESCCOC(c1ccccc1)C(O)c1cc(F)ccc1F
InChIInChI=1S/C16H16F2O2/c1-2-20-16(11-6-4-3-5-7-11)15(19)13-10-12(17)8-9-14(13)18/h3-10,15-16,19H,2H2,1H3
InChIKeyBOSVCALJTSHMMQ-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.78
Rot. Bonds5

About 1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanol

1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanol (PubChem CID 116757204) has the molecular formula C16H16F2O2 and a molecular weight of 278.30 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanol
PubChem CID116757204
Molecular FormulaC16H16F2O2
Molecular Weight278.30 g/mol
Exact Mass278.11
IUPAC Name1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanol
SMILESCCOC(c1ccccc1)C(O)c1cc(F)ccc1F
InChIInChI=1S/C16H16F2O2/c1-2-20-16(11-6-4-3-5-7-11)15(19)13-10-12(17)8-9-14(13)18/h3-10,15-16,19H,2H2,1H3
InChIKeyBOSVCALJTSHMMQ-UHFFFAOYSA-N
XLogP3.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-2-ethoxy-2-phenylethanol
CID 116757203
2-ethoxy-1,2-diphenylethanol
CID 3767197
2-ethoxy-1-(2-ethoxyphenyl)-2-phenylethanol
CID 116757235
2-ethoxy-1-(3-fluoro-5-methylphenyl)-2-phenylethanol
CID 116757127
2-ethoxy-2-phenyl-1-(2,4,5-trimethylphenyl)ethanol
CID 116757043
ethyl 3-(2,5-difluorophenyl)-2-fluoro-3-hydroxypropanoate
CID 79366836
2-ethoxy-1-(2-fluoro-5-methylphenyl)-2-phenylethanamine
CID 116773330
3-(2-chloro-5-fluorophenyl)-1-ethoxy-1-phenylpropan-2-ol
CID 102618300
2-ethoxy-1-(2-fluorophenyl)-2-phenylethanamine
CID 116773494
1-(2,5-difluorophenyl)-2-methoxy-2-phenylethanamine
CID 116772931
1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanone
CID 116751709
2-ethoxy-1-(4-methoxyphenyl)-2-phenylethanol
CID 116757104

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanol?
The IUPAC name of 1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanol (CID 116757204) is 1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanol?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanol is CCOC(c1ccccc1)C(O)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanol?
The InChIKey is BOSVCALJTSHMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O2/c1-2-20-16(11-6-4-3-5-7-11)15(19)13-10-12(17)8-9-14(13)18/h3-10,15-16,19H,2H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanol?
1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanol has a molecular weight of 278.30 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanol is sourced from PubChem (CID 116757204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).