3-(3-ethyl-5-fluorophenyl)propan-1-ol

C11H15FO — CID 117279245

IUPAC3-(3-ethyl-5-fluorophenyl)propan-1-ol
SMILESCCc1cc(F)cc(CCCO)c1
InChIInChI=1S/C11H15FO/c1-2-9-6-10(4-3-5-13)8-11(12)7-9/h6-8,13H,2-5H2,1H3
InChIKeyFBPOLEOXDBWITG-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.31
Rot. Bonds4

About 3-(3-ethyl-5-fluorophenyl)propan-1-ol

3-(3-ethyl-5-fluorophenyl)propan-1-ol (PubChem CID 117279245) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is 3-(3-ethyl-5-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(3-ethyl-5-fluorophenyl)propan-1-ol
PubChem CID117279245
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Name3-(3-ethyl-5-fluorophenyl)propan-1-ol
SMILESCCc1cc(F)cc(CCCO)c1
InChIInChI=1S/C11H15FO/c1-2-9-6-10(4-3-5-13)8-11(12)7-9/h6-8,13H,2-5H2,1H3
InChIKeyFBPOLEOXDBWITG-UHFFFAOYSA-N
XLogP2.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(3-ethyl-5-fluorophenyl)propan-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

1-(3-chloropropyl)-3-ethyl-5-fluorobenzene
CID 118824600
3-(3-fluoro-5-methylsulfonylphenyl)propan-1-ol
CID 117336179
1-ethyl-3,5-difluorobenzene;methanamine
CID 154650973
3-[3-tert-butyl-5-(3-hydroxypropyl)phenyl]propan-1-ol
CID 71150816
5-[2-(3,5-difluorophenyl)ethylamino]pentan-1-ol
CID 62603706
[3-(4-aminobutyl)-5-ethylphenyl]methanol
CID 70653560
3-(4-ethyl-3-fluoro-5-methoxyphenyl)propan-1-ol
CID 117303122
1-ethyl-3,5-di(tetradecyl)benzene
CID 91801932
3-(4-chloro-3,5-difluorophenyl)propan-1-ol
CID 66733620
3-(3,5-dichloro-4-fluorophenyl)propan-1-ol
CID 117318967
6-(3,5-difluorophenyl)hexan-3-ol
CID 105409784
3-ethyl-5-pentylphenol
CID 130224031

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-5-fluorophenyl)propan-1-ol?
The IUPAC name of 3-(3-ethyl-5-fluorophenyl)propan-1-ol (CID 117279245) is 3-(3-ethyl-5-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-(3-ethyl-5-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-(3-ethyl-5-fluorophenyl)propan-1-ol is CCc1cc(F)cc(CCCO)c1.
What is the InChIKey of 3-(3-ethyl-5-fluorophenyl)propan-1-ol?
The InChIKey is FBPOLEOXDBWITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO/c1-2-9-6-10(4-3-5-13)8-11(12)7-9/h6-8,13H,2-5H2,1H3.
What are the key properties of 3-(3-ethyl-5-fluorophenyl)propan-1-ol?
3-(3-ethyl-5-fluorophenyl)propan-1-ol has a molecular weight of 182.24 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-5-fluorophenyl)propan-1-ol is sourced from PubChem (CID 117279245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).