(5-fluoro-2-hexoxyphenyl)methanol

C13H19FO2 — CID 91657337

IUPAC(5-fluoro-2-hexoxyphenyl)methanol
SMILESCCCCCCOc1ccc(F)cc1CO
InChIInChI=1S/C13H19FO2/c1-2-3-4-5-8-16-13-7-6-12(14)9-11(13)10-15/h6-7,9,15H,2-5,8,10H2,1H3
InChIKeyYTTQLQRYYFECJE-UHFFFAOYSA-N
MW226.29 g/mol
LogP3.28
Rot. Bonds7

About (5-fluoro-2-hexoxyphenyl)methanol

(5-fluoro-2-hexoxyphenyl)methanol (PubChem CID 91657337) has the molecular formula C13H19FO2 and a molecular weight of 226.29 g/mol. Its IUPAC name is (5-fluoro-2-hexoxyphenyl)methanol.

Molecular Properties

Compound Name(5-fluoro-2-hexoxyphenyl)methanol
PubChem CID91657337
Molecular FormulaC13H19FO2
Molecular Weight226.29 g/mol
Exact Mass226.14
IUPAC Name(5-fluoro-2-hexoxyphenyl)methanol
SMILESCCCCCCOc1ccc(F)cc1CO
InChIInChI=1S/C13H19FO2/c1-2-3-4-5-8-16-13-7-6-12(14)9-11(13)10-15/h6-7,9,15H,2-5,8,10H2,1H3
InChIKeyYTTQLQRYYFECJE-UHFFFAOYSA-N
XLogP3.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5-fluoro-2-hexoxyphenyl)methanol 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

3-(hydroxymethyl)-4-nonoxyphenol
CID 14278819
(5-bromo-2-octoxyphenyl)methanol
CID 3459846
(2-octoxyphenyl)methanol
CID 43128604
1-(5-fluoro-2-heptoxyphenyl)butan-2-amine
CID 107701259
[2-[2-(dimethylamino)ethoxy]-5-fluorophenyl]methanol
CID 107698691
[5-fluoro-2-(2-methylsulfanylethoxy)phenyl]methanol
CID 107698407
N-[(5-fluoro-2-hexoxyphenyl)methyl]-2-methylpropan-1-amine
CID 107696863
1,4-difluoro-2-hexoxybenzene
CID 23437312
N-[(5-fluoro-2-heptoxyphenyl)methyl]-2-methoxyethanamine
CID 107696956
5-fluoro-2-nonoxybenzoic acid
CID 115297915
1-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol
CID 107698659
(3,5-difluoro-2-hexoxyphenyl)methanol
CID 91658009

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-hexoxyphenyl)methanol?
The IUPAC name of (5-fluoro-2-hexoxyphenyl)methanol (CID 91657337) is (5-fluoro-2-hexoxyphenyl)methanol.
What is the SMILES notation for (5-fluoro-2-hexoxyphenyl)methanol?
The canonical SMILES for (5-fluoro-2-hexoxyphenyl)methanol is CCCCCCOc1ccc(F)cc1CO.
What is the InChIKey of (5-fluoro-2-hexoxyphenyl)methanol?
The InChIKey is YTTQLQRYYFECJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO2/c1-2-3-4-5-8-16-13-7-6-12(14)9-11(13)10-15/h6-7,9,15H,2-5,8,10H2,1H3.
What are the key properties of (5-fluoro-2-hexoxyphenyl)methanol?
(5-fluoro-2-hexoxyphenyl)methanol has a molecular weight of 226.29 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-hexoxyphenyl)methanol is sourced from PubChem (CID 91657337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).