2-fluoro-4-hexoxy-1-methylbenzene

C13H19FO — CID 58718900

IUPAC2-fluoro-4-hexoxy-1-methylbenzene
SMILESCCCCCCOc1ccc(C)c(F)c1
InChIInChI=1S/C13H19FO/c1-3-4-5-6-9-15-12-8-7-11(2)13(14)10-12/h7-8,10H,3-6,9H2,1-2H3
InChIKeyJNXJMGAHBZIZTA-UHFFFAOYSA-N
MW210.29 g/mol
LogP4.09
Rot. Bonds6

About 2-fluoro-4-hexoxy-1-methylbenzene

2-fluoro-4-hexoxy-1-methylbenzene (PubChem CID 58718900) has the molecular formula C13H19FO and a molecular weight of 210.29 g/mol. Its IUPAC name is 2-fluoro-4-hexoxy-1-methylbenzene.

Molecular Properties

Compound Name2-fluoro-4-hexoxy-1-methylbenzene
PubChem CID58718900
Molecular FormulaC13H19FO
Molecular Weight210.29 g/mol
Exact Mass210.14
IUPAC Name2-fluoro-4-hexoxy-1-methylbenzene
SMILESCCCCCCOc1ccc(C)c(F)c1
InChIInChI=1S/C13H19FO/c1-3-4-5-6-9-15-12-8-7-11(2)13(14)10-12/h7-8,10H,3-6,9H2,1-2H3
InChIKeyJNXJMGAHBZIZTA-UHFFFAOYSA-N
XLogP4.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.29
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-fluoro-4-hexoxy-1-methylbenzene 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

9-(3-fluoro-4-methylphenoxy)nonane-1-thiol
CID 107171679
2-fluoro-4-(4-methoxybutoxy)-1-methylbenzene
CID 107171353
1-bromo-2-fluoro-4-tetradecoxybenzene
CID 23354727
2-ethyl-4-hexoxy-1-methylbenzene
CID 143189460
(2-fluoro-4-nonoxyphenyl)boronic acid
CID 23005431
3-(3-fluoro-4-methylphenoxy)propan-1-ol
CID 107170036
4-[2-(2-hexoxyethoxy)ethoxy]-1,2-dimethylbenzene
CID 129113813
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
(1R)-1-(2-fluoro-4-hexoxyphenyl)ethanamine
CID 107718481
1-(2-fluoro-4-heptoxyphenyl)ethanamine
CID 107715824

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-hexoxy-1-methylbenzene?
The IUPAC name of 2-fluoro-4-hexoxy-1-methylbenzene (CID 58718900) is 2-fluoro-4-hexoxy-1-methylbenzene.
What is the SMILES notation for 2-fluoro-4-hexoxy-1-methylbenzene?
The canonical SMILES for 2-fluoro-4-hexoxy-1-methylbenzene is CCCCCCOc1ccc(C)c(F)c1.
What is the InChIKey of 2-fluoro-4-hexoxy-1-methylbenzene?
The InChIKey is JNXJMGAHBZIZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO/c1-3-4-5-6-9-15-12-8-7-11(2)13(14)10-12/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 2-fluoro-4-hexoxy-1-methylbenzene?
2-fluoro-4-hexoxy-1-methylbenzene has a molecular weight of 210.29 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-hexoxy-1-methylbenzene is sourced from PubChem (CID 58718900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).