3-(2,3-difluorophenyl)-1-ethoxy-1-phenylpropan-2-ol

C17H18F2O2 — CID 116757101

IUPAC3-(2,3-difluorophenyl)-1-ethoxy-1-phenylpropan-2-ol
SMILESCCOC(c1ccccc1)C(O)Cc1cccc(F)c1F
InChIInChI=1S/C17H18F2O2/c1-2-21-17(12-7-4-3-5-8-12)15(20)11-13-9-6-10-14(18)16(13)19/h3-10,15,17,20H,2,11H2,1H3
InChIKeyLQWUKIDTOGQSFQ-UHFFFAOYSA-N
MW292.32 g/mol
LogP3.65
Rot. Bonds6

About 3-(2,3-difluorophenyl)-1-ethoxy-1-phenylpropan-2-ol

3-(2,3-difluorophenyl)-1-ethoxy-1-phenylpropan-2-ol (PubChem CID 116757101) has the molecular formula C17H18F2O2 and a molecular weight of 292.32 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-1-ethoxy-1-phenylpropan-2-ol.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-1-ethoxy-1-phenylpropan-2-ol
PubChem CID116757101
Molecular FormulaC17H18F2O2
Molecular Weight292.32 g/mol
Exact Mass292.13
IUPAC Name3-(2,3-difluorophenyl)-1-ethoxy-1-phenylpropan-2-ol
SMILESCCOC(c1ccccc1)C(O)Cc1cccc(F)c1F
InChIInChI=1S/C17H18F2O2/c1-2-21-17(12-7-4-3-5-8-12)15(20)11-13-9-6-10-14(18)16(13)19/h3-10,15,17,20H,2,11H2,1H3
InChIKeyLQWUKIDTOGQSFQ-UHFFFAOYSA-N
XLogP3.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chloro-5-fluorophenyl)-1-ethoxy-1-phenylpropan-2-ol
CID 102618300
1-(2,3-difluorophenyl)-2-ethoxy-2-phenylethanamine
CID 116773502
1-(2,3-difluorophenyl)-3-methoxy-4,4-dimethylpentan-2-ol
CID 116713005
1-ethoxy-1-phenyl-3-pyridin-4-ylpropan-2-ol
CID 116757045
3-(2,6-difluorophenyl)-1-methoxy-1-phenylpropan-2-ol
CID 114931735
2-ethoxy-1,2-diphenylethanol
CID 3767197
1-(3-chloro-2-phenylpropyl)-2,3-difluorobenzene
CID 66033899
2-(2,3-difluorophenyl)-N-ethyl-1-phenylethanamine
CID 55095211
1-(3,4-difluorophenyl)-2-ethoxy-2-phenylethanol
CID 116757203
1,3-bis(2,3-difluorophenyl)propan-2-ol
CID 115788900
1-(2,3-difluorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 55095617
2-ethoxy-1-(2-fluorophenyl)-2-phenylethanamine
CID 116773494

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenyl)-1-ethoxy-1-phenylpropan-2-ol?
The IUPAC name of 3-(2,3-difluorophenyl)-1-ethoxy-1-phenylpropan-2-ol (CID 116757101) is 3-(2,3-difluorophenyl)-1-ethoxy-1-phenylpropan-2-ol.
What is the SMILES notation for 3-(2,3-difluorophenyl)-1-ethoxy-1-phenylpropan-2-ol?
The canonical SMILES for 3-(2,3-difluorophenyl)-1-ethoxy-1-phenylpropan-2-ol is CCOC(c1ccccc1)C(O)Cc1cccc(F)c1F.
What is the InChIKey of 3-(2,3-difluorophenyl)-1-ethoxy-1-phenylpropan-2-ol?
The InChIKey is LQWUKIDTOGQSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2O2/c1-2-21-17(12-7-4-3-5-8-12)15(20)11-13-9-6-10-14(18)16(13)19/h3-10,15,17,20H,2,11H2,1H3.
What are the key properties of 3-(2,3-difluorophenyl)-1-ethoxy-1-phenylpropan-2-ol?
3-(2,3-difluorophenyl)-1-ethoxy-1-phenylpropan-2-ol has a molecular weight of 292.32 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenyl)-1-ethoxy-1-phenylpropan-2-ol is sourced from PubChem (CID 116757101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).