2-ethyl-1-(2-fluoro-3-methoxyphenyl)hexan-1-ol

C15H23FO2 — CID 115828563

IUPAC2-ethyl-1-(2-fluoro-3-methoxyphenyl)hexan-1-ol
SMILESCCCCC(CC)C(O)c1cccc(OC)c1F
InChIInChI=1S/C15H23FO2/c1-4-6-8-11(5-2)15(17)12-9-7-10-13(18-3)14(12)16/h7,9-11,15,17H,4-6,8H2,1-3H3
InChIKeyWYNUJWISYRGLSI-UHFFFAOYSA-N
MW254.34 g/mol
LogP4.08
Rot. Bonds7

About 2-ethyl-1-(2-fluoro-3-methoxyphenyl)hexan-1-ol

2-ethyl-1-(2-fluoro-3-methoxyphenyl)hexan-1-ol (PubChem CID 115828563) has the molecular formula C15H23FO2 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-ethyl-1-(2-fluoro-3-methoxyphenyl)hexan-1-ol.

Molecular Properties

Compound Name2-ethyl-1-(2-fluoro-3-methoxyphenyl)hexan-1-ol
PubChem CID115828563
Molecular FormulaC15H23FO2
Molecular Weight254.34 g/mol
Exact Mass254.17
IUPAC Name2-ethyl-1-(2-fluoro-3-methoxyphenyl)hexan-1-ol
SMILESCCCCC(CC)C(O)c1cccc(OC)c1F
InChIInChI=1S/C15H23FO2/c1-4-6-8-11(5-2)15(17)12-9-7-10-13(18-3)14(12)16/h7,9-11,15,17H,4-6,8H2,1-3H3
InChIKeyWYNUJWISYRGLSI-UHFFFAOYSA-N
XLogP4.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-1-(2-fluoro-3-methoxyphenyl)hexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-1-(2-fluoro-3-methoxyphenyl)-N-methylhexan-1-amine
CID 105024920
1-(2-fluoro-3-methoxyphenyl)pentane-1,2-diol
CID 103454923
1-(2-fluoro-3-methoxyphenyl)-2-methylpentan-1-ol
CID 82805526
2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanol
CID 112575477
1-(2-fluoro-3-methoxyphenyl)-2-phenylbutan-1-ol
CID 115828571
1-(2-fluoro-3-methoxyphenyl)propane-1,2,3-triol
CID 170819054
1-(2-fluoro-3-methoxyphenyl)nonan-1-amine
CID 105025092
1-(4-bromo-2,5-dimethoxyphenyl)-2-ethylhexan-1-ol
CID 105057112
1-(2-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859159
6-(2-fluoro-3-methoxyphenyl)hexan-3-ol
CID 104795145
1-(2-fluoro-3-methoxyphenyl)-4-methylpentan-1-ol
CID 82808505
1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol
CID 116751948

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-fluoro-3-methoxyphenyl)hexan-1-ol?
The IUPAC name of 2-ethyl-1-(2-fluoro-3-methoxyphenyl)hexan-1-ol (CID 115828563) is 2-ethyl-1-(2-fluoro-3-methoxyphenyl)hexan-1-ol.
What is the SMILES notation for 2-ethyl-1-(2-fluoro-3-methoxyphenyl)hexan-1-ol?
The canonical SMILES for 2-ethyl-1-(2-fluoro-3-methoxyphenyl)hexan-1-ol is CCCCC(CC)C(O)c1cccc(OC)c1F.
What is the InChIKey of 2-ethyl-1-(2-fluoro-3-methoxyphenyl)hexan-1-ol?
The InChIKey is WYNUJWISYRGLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FO2/c1-4-6-8-11(5-2)15(17)12-9-7-10-13(18-3)14(12)16/h7,9-11,15,17H,4-6,8H2,1-3H3.
What are the key properties of 2-ethyl-1-(2-fluoro-3-methoxyphenyl)hexan-1-ol?
2-ethyl-1-(2-fluoro-3-methoxyphenyl)hexan-1-ol has a molecular weight of 254.34 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-fluoro-3-methoxyphenyl)hexan-1-ol is sourced from PubChem (CID 115828563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).