1-(3,4-difluorophenyl)-2-ethoxy-2-phenylethanol

C16H16F2O2 — CID 116757203

IUPAC1-(3,4-difluorophenyl)-2-ethoxy-2-phenylethanol
SMILESCCOC(c1ccccc1)C(O)c1ccc(F)c(F)c1
InChIInChI=1S/C16H16F2O2/c1-2-20-16(11-6-4-3-5-7-11)15(19)12-8-9-13(17)14(18)10-12/h3-10,15-16,19H,2H2,1H3
InChIKeyFKGAZJOMQAFQQL-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.78
Rot. Bonds5

About 1-(3,4-difluorophenyl)-2-ethoxy-2-phenylethanol

1-(3,4-difluorophenyl)-2-ethoxy-2-phenylethanol (PubChem CID 116757203) has the molecular formula C16H16F2O2 and a molecular weight of 278.30 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-ethoxy-2-phenylethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-ethoxy-2-phenylethanol
PubChem CID116757203
Molecular FormulaC16H16F2O2
Molecular Weight278.30 g/mol
Exact Mass278.11
IUPAC Name1-(3,4-difluorophenyl)-2-ethoxy-2-phenylethanol
SMILESCCOC(c1ccccc1)C(O)c1ccc(F)c(F)c1
InChIInChI=1S/C16H16F2O2/c1-2-20-16(11-6-4-3-5-7-11)15(19)12-8-9-13(17)14(18)10-12/h3-10,15-16,19H,2H2,1H3
InChIKeyFKGAZJOMQAFQQL-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-methoxy-2-phenylethanol
CID 116756981
2-ethoxy-1,2-diphenylethanol
CID 3767197
1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanol
CID 116757204
2-ethoxy-1-(3-fluoro-5-methylphenyl)-2-phenylethanol
CID 116757127
[1-(3,4-difluorophenyl)-2-ethoxy-2-phenylethyl]hydrazine
CID 105279283
2-ethoxy-1-(4-methoxyphenyl)-2-phenylethanol
CID 116757104
2-ethoxy-2-phenyl-1-(2,4,5-trimethylphenyl)ethanol
CID 116757043
2-amino-1-(3,4-difluorophenyl)-2-phenylethanol
CID 62718129
2-ethoxy-1-(2-ethoxyphenyl)-2-phenylethanol
CID 116757235
(3R,6S)-1,8-diethoxy-2,3,6,7-tetrahydroxy-1,8-diphenyloctane-4,5-dione
CID 54296354
1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-phenylethanamine
CID 116773143
2-chloro-1-(3,4-difluorophenyl)propan-1-ol
CID 116863660

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-ethoxy-2-phenylethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-ethoxy-2-phenylethanol (CID 116757203) is 1-(3,4-difluorophenyl)-2-ethoxy-2-phenylethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-ethoxy-2-phenylethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-ethoxy-2-phenylethanol is CCOC(c1ccccc1)C(O)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-ethoxy-2-phenylethanol?
The InChIKey is FKGAZJOMQAFQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O2/c1-2-20-16(11-6-4-3-5-7-11)15(19)12-8-9-13(17)14(18)10-12/h3-10,15-16,19H,2H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-ethoxy-2-phenylethanol?
1-(3,4-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-(3,4-difluorophenyl)-2-ethoxy-2-phenylethanol is sourced from PubChem (CID 116757203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).