4-ethoxy-1-(2-fluorophenyl)butan-2-ol

C12H17FO2 — CID 62607286

IUPAC4-ethoxy-1-(2-fluorophenyl)butan-2-ol
SMILESCCOCCC(O)Cc1ccccc1F
InChIInChI=1S/C12H17FO2/c1-2-15-8-7-11(14)9-10-5-3-4-6-12(10)13/h3-6,11,14H,2,7-9H2,1H3
InChIKeyWJKAVIVZBJYIFP-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.16
Rot. Bonds6

About 4-ethoxy-1-(2-fluorophenyl)butan-2-ol

4-ethoxy-1-(2-fluorophenyl)butan-2-ol (PubChem CID 62607286) has the molecular formula C12H17FO2 and a molecular weight of 212.26 g/mol. Its IUPAC name is 4-ethoxy-1-(2-fluorophenyl)butan-2-ol.

Molecular Properties

Compound Name4-ethoxy-1-(2-fluorophenyl)butan-2-ol
PubChem CID62607286
Molecular FormulaC12H17FO2
Molecular Weight212.26 g/mol
Exact Mass212.12
IUPAC Name4-ethoxy-1-(2-fluorophenyl)butan-2-ol
SMILESCCOCCC(O)Cc1ccccc1F
InChIInChI=1S/C12H17FO2/c1-2-15-8-7-11(14)9-10-5-3-4-6-12(10)13/h3-6,11,14H,2,7-9H2,1H3
InChIKeyWJKAVIVZBJYIFP-UHFFFAOYSA-N
XLogP2.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-ethoxy-1-(2-fluorophenyl)butan-2-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-(2-fluorophenyl)-5-methoxypentan-2-ol
CID 62606164
1-(2-fluorophenyl)octan-2-ol
CID 62606363
1-(2-fluorophenyl)-5-methylsulfanylpentan-2-ol
CID 70305624
1-ethylsulfanyl-3-(2-fluorophenyl)propan-2-ol
CID 65130556
1-(2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 61263658
1-amino-3-(2-fluorophenyl)propan-2-ol
CID 64982726
4-ethoxy-1-(4-ethylphenyl)butan-2-ol
CID 105080275
1-(2-fluorophenyl)-3-(methylamino)propan-2-ol
CID 64989565
1-(2,3-difluorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 55095617
5-ethoxy-2-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
CID 65181083
1-(2-methylphenyl)-4-(2,2,2-trifluoroethoxy)butan-2-ol
CID 55095136
1-(2-fluorophenyl)-N-methyl-4-propoxybutan-2-amine
CID 105090111

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(2-fluorophenyl)butan-2-ol?
The IUPAC name of 4-ethoxy-1-(2-fluorophenyl)butan-2-ol (CID 62607286) is 4-ethoxy-1-(2-fluorophenyl)butan-2-ol.
What is the SMILES notation for 4-ethoxy-1-(2-fluorophenyl)butan-2-ol?
The canonical SMILES for 4-ethoxy-1-(2-fluorophenyl)butan-2-ol is CCOCCC(O)Cc1ccccc1F.
What is the InChIKey of 4-ethoxy-1-(2-fluorophenyl)butan-2-ol?
The InChIKey is WJKAVIVZBJYIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO2/c1-2-15-8-7-11(14)9-10-5-3-4-6-12(10)13/h3-6,11,14H,2,7-9H2,1H3.
What are the key properties of 4-ethoxy-1-(2-fluorophenyl)butan-2-ol?
4-ethoxy-1-(2-fluorophenyl)butan-2-ol has a molecular weight of 212.26 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(2-fluorophenyl)butan-2-ol is sourced from PubChem (CID 62607286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).