2-(2,3-difluorophenoxy)-1-(4-propylphenyl)ethanol

C17H18F2O2 — CID 63037145

IUPAC2-(2,3-difluorophenoxy)-1-(4-propylphenyl)ethanol
SMILESCCCc1ccc(C(O)COc2cccc(F)c2F)cc1
InChIInChI=1S/C17H18F2O2/c1-2-4-12-7-9-13(10-8-12)15(20)11-21-16-6-3-5-14(18)17(16)19/h3,5-10,15,20H,2,4,11H2,1H3
InChIKeyXUADOGDSCLGDAB-UHFFFAOYSA-N
MW292.32 g/mol
LogP4.03
Rot. Bonds6

About 2-(2,3-difluorophenoxy)-1-(4-propylphenyl)ethanol

2-(2,3-difluorophenoxy)-1-(4-propylphenyl)ethanol (PubChem CID 63037145) has the molecular formula C17H18F2O2 and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-(2,3-difluorophenoxy)-1-(4-propylphenyl)ethanol.

Molecular Properties

Compound Name2-(2,3-difluorophenoxy)-1-(4-propylphenyl)ethanol
PubChem CID63037145
Molecular FormulaC17H18F2O2
Molecular Weight292.32 g/mol
Exact Mass292.13
IUPAC Name2-(2,3-difluorophenoxy)-1-(4-propylphenyl)ethanol
SMILESCCCc1ccc(C(O)COc2cccc(F)c2F)cc1
InChIInChI=1S/C17H18F2O2/c1-2-4-12-7-9-13(10-8-12)15(20)11-21-16-6-3-5-14(18)17(16)19/h3,5-10,15,20H,2,4,11H2,1H3
InChIKeyXUADOGDSCLGDAB-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanol
CID 109416073
2-phenoxy-1-(4-propylphenyl)ethanol
CID 54943234
2-(2-fluoro-3-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 103975241
2-(2,3-difluorophenoxy)-1-(4-ethylphenyl)ethanamine
CID 63036402
2-(2,3-difluorophenoxy)-1-(2-methoxyphenyl)ethanol
CID 63038192
1-(2,3-difluorophenoxy)-3-(ethylamino)propan-2-ol
CID 63038505
(2-fluorophenyl)-(4-propylphenyl)methanol
CID 61087386
2-(2,2-difluoroethoxy)-1-(4-propylphenyl)ethanol
CID 82007292
2-(2-chloro-6-fluorophenyl)-1-(4-propylphenyl)ethanol
CID 63410788
3-(2,3-difluorophenoxy)propane-1,2-diol
CID 79838719
ethyl 2-amino-3-(2,3-difluorophenoxy)propanoate
CID 55144001
1-(2-methoxyphenyl)-2-(4-propylphenoxy)ethanol
CID 62549968

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenoxy)-1-(4-propylphenyl)ethanol?
The IUPAC name of 2-(2,3-difluorophenoxy)-1-(4-propylphenyl)ethanol (CID 63037145) is 2-(2,3-difluorophenoxy)-1-(4-propylphenyl)ethanol.
What is the SMILES notation for 2-(2,3-difluorophenoxy)-1-(4-propylphenyl)ethanol?
The canonical SMILES for 2-(2,3-difluorophenoxy)-1-(4-propylphenyl)ethanol is CCCc1ccc(C(O)COc2cccc(F)c2F)cc1.
What is the InChIKey of 2-(2,3-difluorophenoxy)-1-(4-propylphenyl)ethanol?
The InChIKey is XUADOGDSCLGDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2O2/c1-2-4-12-7-9-13(10-8-12)15(20)11-21-16-6-3-5-14(18)17(16)19/h3,5-10,15,20H,2,4,11H2,1H3.
What are the key properties of 2-(2,3-difluorophenoxy)-1-(4-propylphenyl)ethanol?
2-(2,3-difluorophenoxy)-1-(4-propylphenyl)ethanol has a molecular weight of 292.32 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenoxy)-1-(4-propylphenyl)ethanol is sourced from PubChem (CID 63037145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).