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

C13H19FO2 — CID 114347450

IUPAC3-ethoxy-1-(4-fluoro-2-methylphenyl)butan-2-ol
SMILESCCOC(C)C(O)Cc1ccc(F)cc1C
InChIInChI=1S/C13H19FO2/c1-4-16-10(3)13(15)8-11-5-6-12(14)7-9(11)2/h5-7,10,13,15H,4,8H2,1-3H3
InChIKeySRBOYUQZAIIDGZ-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.46
Rot. Bonds5

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

3-ethoxy-1-(4-fluoro-2-methylphenyl)butan-2-ol (PubChem CID 114347450) has the molecular formula C13H19FO2 and a molecular weight of 226.29 g/mol. Its IUPAC name is 3-ethoxy-1-(4-fluoro-2-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name3-ethoxy-1-(4-fluoro-2-methylphenyl)butan-2-ol
PubChem CID114347450
Molecular FormulaC13H19FO2
Molecular Weight226.29 g/mol
Exact Mass226.14
IUPAC Name3-ethoxy-1-(4-fluoro-2-methylphenyl)butan-2-ol
SMILESCCOC(C)C(O)Cc1ccc(F)cc1C
InChIInChI=1S/C13H19FO2/c1-4-16-10(3)13(15)8-11-5-6-12(14)7-9(11)2/h5-7,10,13,15H,4,8H2,1-3H3
InChIKeySRBOYUQZAIIDGZ-UHFFFAOYSA-N
XLogP2.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-1-(2-methylphenyl)butan-2-ol
CID 64541141
3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-2-amine
CID 114347916
1-(4-fluoro-2-methylphenyl)propan-2-ol
CID 91636360
1-(4-fluoro-2-methylphenyl)-3-propan-2-yloxypropan-2-ol
CID 105131331
ethyl 3-(4-fluoro-2-methylphenyl)-2-hydroxypropanoate
CID 114346916
3-(3-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)butan-2-ol
CID 105131249
1-(4-fluoro-2-methylphenyl)-3-methoxybutan-2-amine
CID 114348131
1-(2-bromo-4-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol
CID 116713553
1-(2-bromo-4-fluorophenyl)-3-ethoxy-4-methylpentan-2-ol
CID 116712395
1,1-diethoxy-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114348126
3-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine
CID 114348360
3-ethoxy-1-(4-ethylphenyl)butan-2-ol
CID 64541532

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(4-fluoro-2-methylphenyl)butan-2-ol?
The IUPAC name of 3-ethoxy-1-(4-fluoro-2-methylphenyl)butan-2-ol (CID 114347450) is 3-ethoxy-1-(4-fluoro-2-methylphenyl)butan-2-ol.
What is the SMILES notation for 3-ethoxy-1-(4-fluoro-2-methylphenyl)butan-2-ol?
The canonical SMILES for 3-ethoxy-1-(4-fluoro-2-methylphenyl)butan-2-ol is CCOC(C)C(O)Cc1ccc(F)cc1C.
What is the InChIKey of 3-ethoxy-1-(4-fluoro-2-methylphenyl)butan-2-ol?
The InChIKey is SRBOYUQZAIIDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO2/c1-4-16-10(3)13(15)8-11-5-6-12(14)7-9(11)2/h5-7,10,13,15H,4,8H2,1-3H3.
What are the key properties of 3-ethoxy-1-(4-fluoro-2-methylphenyl)butan-2-ol?
3-ethoxy-1-(4-fluoro-2-methylphenyl)butan-2-ol has a molecular weight of 226.29 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(4-fluoro-2-methylphenyl)butan-2-ol is sourced from PubChem (CID 114347450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).