2-ethoxy-2-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-ol

C15H23FO3 — CID 116752532

IUPAC2-ethoxy-2-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-ol
SMILESCCOC(CC)(CC)C(O)c1cccc(OC)c1F
InChIInChI=1S/C15H23FO3/c1-5-15(6-2,19-7-3)14(17)11-9-8-10-12(18-4)13(11)16/h8-10,14,17H,5-7H2,1-4H3
InChIKeyWNPBPVJYQBAAFY-UHFFFAOYSA-N
MW270.34 g/mol
LogP3.46
Rot. Bonds7

About 2-ethoxy-2-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-ol

2-ethoxy-2-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-ol (PubChem CID 116752532) has the molecular formula C15H23FO3 and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-ethoxy-2-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-ol.

Molecular Properties

Compound Name2-ethoxy-2-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-ol
PubChem CID116752532
Molecular FormulaC15H23FO3
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name2-ethoxy-2-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-ol
SMILESCCOC(CC)(CC)C(O)c1cccc(OC)c1F
InChIInChI=1S/C15H23FO3/c1-5-15(6-2,19-7-3)14(17)11-9-8-10-12(18-4)13(11)16/h8-10,14,17H,5-7H2,1-4H3
InChIKeyWNPBPVJYQBAAFY-UHFFFAOYSA-N
XLogP3.46
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol
CID 116751948
2-ethyl-1-(2-fluoro-3-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol
CID 82792077
1-(2,5-dimethoxyphenyl)-2-ethoxy-2-ethylbutan-1-ol
CID 116752634
2-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N,2-dimethylbutan-1-amine
CID 116758925
2-ethoxy-2-ethyl-1-(3-methoxy-2-pyridinyl)butan-1-ol
CID 114053788
1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol
CID 82791751
1-(2-chlorophenyl)-2-ethoxy-2-ethylbutan-1-ol
CID 116752655
1-(2-fluoro-3-methoxyphenyl)pentane-1,2-diol
CID 103454923
2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanol
CID 112575477
1-(2-fluoro-3-methoxyphenyl)propane-1,2,3-triol
CID 170819054
1-(2-fluoro-3-methoxyphenyl)-2-methylpentan-1-ol
CID 82805526
1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55273473

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-ol?
The IUPAC name of 2-ethoxy-2-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-ol (CID 116752532) is 2-ethoxy-2-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-ol.
What is the SMILES notation for 2-ethoxy-2-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-ol?
The canonical SMILES for 2-ethoxy-2-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-ol is CCOC(CC)(CC)C(O)c1cccc(OC)c1F.
What is the InChIKey of 2-ethoxy-2-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-ol?
The InChIKey is WNPBPVJYQBAAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FO3/c1-5-15(6-2,19-7-3)14(17)11-9-8-10-12(18-4)13(11)16/h8-10,14,17H,5-7H2,1-4H3.
What are the key properties of 2-ethoxy-2-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-ol?
2-ethoxy-2-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-ol has a molecular weight of 270.34 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-ol is sourced from PubChem (CID 116752532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).