1-(4-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol

C16H17FO3 — CID 109414138

IUPAC1-(4-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol
SMILESCOc1cc(C)ccc1OCC(O)c1ccc(F)cc1
InChIInChI=1S/C16H17FO3/c1-11-3-8-15(16(9-11)19-2)20-10-14(18)12-4-6-13(17)7-5-12/h3-9,14,18H,10H2,1-2H3
InChIKeyIHSOPKZLUVRMJX-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.26
Rot. Bonds5

About 1-(4-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol

1-(4-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol (PubChem CID 109414138) has the molecular formula C16H17FO3 and a molecular weight of 276.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol
PubChem CID109414138
Molecular FormulaC16H17FO3
Molecular Weight276.31 g/mol
Exact Mass276.12
IUPAC Name1-(4-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol
SMILESCOc1cc(C)ccc1OCC(O)c1ccc(F)cc1
InChIInChI=1S/C16H17FO3/c1-11-3-8-15(16(9-11)19-2)20-10-14(18)12-4-6-13(17)7-5-12/h3-9,14,18H,10H2,1-2H3
InChIKeyIHSOPKZLUVRMJX-UHFFFAOYSA-N
XLogP3.26
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol
CID 62265588
2-(2-chloro-5-methylphenoxy)-1-(4-fluorophenyl)ethanol
CID 112813692
1-(3,4-dimethoxyphenyl)-2-[4-methyl-2-(trifluoromethoxy)phenoxy]ethanol
CID 123389695
2-(2-fluoro-5-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 64854475
2-(5-fluoro-2-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 102977758
(2R)-3-(2-methoxy-4-methylphenoxy)propane-1,2-diol
CID 58551347
N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 17415328
2-(2-methoxy-4-methylphenoxy)-1-(3-nitrophenyl)ethanol
CID 109414141
2-(2-fluoro-3-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 103975241
1-cyclopropyl-2-(2-methoxy-4-methylphenoxy)ethanol
CID 63907448
1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol
CID 60797865
1-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]ethanol
CID 43506272

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol (CID 109414138) is 1-(4-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol is COc1cc(C)ccc1OCC(O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol?
The InChIKey is IHSOPKZLUVRMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO3/c1-11-3-8-15(16(9-11)19-2)20-10-14(18)12-4-6-13(17)7-5-12/h3-9,14,18H,10H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol?
1-(4-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol has a molecular weight of 276.31 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanol is sourced from PubChem (CID 109414138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).