2-ethoxy-1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-ol

C13H19FO2 — CID 107128616

IUPAC2-ethoxy-1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-ol
SMILESCCOC(C)(C)C(O)c1ccc(C)c(F)c1
InChIInChI=1S/C13H19FO2/c1-5-16-13(3,4)12(15)10-7-6-9(2)11(14)8-10/h6-8,12,15H,5H2,1-4H3
InChIKeyHAKHAHIDAXUIHG-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.98
Rot. Bonds4

About 2-ethoxy-1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-ol

2-ethoxy-1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-ol (PubChem CID 107128616) has the molecular formula C13H19FO2 and a molecular weight of 226.29 g/mol. Its IUPAC name is 2-ethoxy-1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-ethoxy-1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-ol
PubChem CID107128616
Molecular FormulaC13H19FO2
Molecular Weight226.29 g/mol
Exact Mass226.14
IUPAC Name2-ethoxy-1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-ol
SMILESCCOC(C)(C)C(O)c1ccc(C)c(F)c1
InChIInChI=1S/C13H19FO2/c1-5-16-13(3,4)12(15)10-7-6-9(2)11(14)8-10/h6-8,12,15H,5H2,1-4H3
InChIKeyHAKHAHIDAXUIHG-UHFFFAOYSA-N
XLogP2.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(3-fluoro-4-methylphenyl)-2-hydroxyacetate
CID 63648295
2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanol
CID 79568215
1-(4-chloro-2-fluorophenyl)-2-ethoxy-2-methylpropan-1-ol
CID 116713638
1-(3-fluoro-4-methylphenyl)butane-1,2-diol
CID 107128649
2-ethoxy-2-methyl-1-(2-methylphenyl)propan-1-ol
CID 116713777
1-(3-fluoro-4-methylphenyl)-2-methoxybutan-1-ol
CID 107128607
1-ethoxy-1-(3-fluoro-4-methylphenyl)propan-2-one
CID 83226180
1-(3-fluoro-4-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-ol
CID 107128539
2-ethoxy-2-ethyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-ol
CID 107288640
tert-butyl 3-(3-fluoro-4-methylphenyl)-3-hydroxy-2-methylpropanoate
CID 66337808
[2-ethoxy-1-(4-fluoro-3-methylphenyl)-2-methylpropyl]hydrazine
CID 105273981
ethyl 3-amino-3-(3-fluoro-4-methylphenyl)propanoate
CID 63644834

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-ethoxy-1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-ol (CID 107128616) is 2-ethoxy-1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-ethoxy-1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-ethoxy-1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-ol is CCOC(C)(C)C(O)c1ccc(C)c(F)c1.
What is the InChIKey of 2-ethoxy-1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-ol?
The InChIKey is HAKHAHIDAXUIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO2/c1-5-16-13(3,4)12(15)10-7-6-9(2)11(14)8-10/h6-8,12,15H,5H2,1-4H3.
What are the key properties of 2-ethoxy-1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-ol?
2-ethoxy-1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-ol has a molecular weight of 226.29 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 107128616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).