[3-fluoro-2-(4-methylpentoxy)phenyl]methanol

C13H19FO2 — CID 112613210

IUPAC[3-fluoro-2-(4-methylpentoxy)phenyl]methanol
SMILESCC(C)CCCOc1c(F)cccc1CO
InChIInChI=1S/C13H19FO2/c1-10(2)5-4-8-16-13-11(9-15)6-3-7-12(13)14/h3,6-7,10,15H,4-5,8-9H2,1-2H3
InChIKeyKAYSWYVFVNOAEA-UHFFFAOYSA-N
MW226.29 g/mol
LogP3.13
Rot. Bonds6

About [3-fluoro-2-(4-methylpentoxy)phenyl]methanol

[3-fluoro-2-(4-methylpentoxy)phenyl]methanol (PubChem CID 112613210) has the molecular formula C13H19FO2 and a molecular weight of 226.29 g/mol. Its IUPAC name is [3-fluoro-2-(4-methylpentoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-2-(4-methylpentoxy)phenyl]methanol
PubChem CID112613210
Molecular FormulaC13H19FO2
Molecular Weight226.29 g/mol
Exact Mass226.14
IUPAC Name[3-fluoro-2-(4-methylpentoxy)phenyl]methanol
SMILESCC(C)CCCOc1c(F)cccc1CO
InChIInChI=1S/C13H19FO2/c1-10(2)5-4-8-16-13-11(9-15)6-3-7-12(13)14/h3,6-7,10,15H,4-5,8-9H2,1-2H3
InChIKeyKAYSWYVFVNOAEA-UHFFFAOYSA-N
XLogP3.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-fluoro-6-(hydroxymethyl)phenoxy]propan-1-ol
CID 112612921
(3-fluoro-2-heptoxyphenyl)methanol
CID 112612964
4-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-methylbutanamide
CID 112613187
[3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methanol
CID 103180585
4-[2-fluoro-6-(hydroxymethyl)phenoxy]-N,N-dimethylbutanamide
CID 112613189
(3-fluoro-2-pentan-2-yloxyphenyl)methanol
CID 107892337
2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-methylacetamide
CID 112613129
2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)propanamide
CID 115956348
[3-fluoro-2-(2-methylprop-2-enoxy)phenyl]methanol
CID 112613056
6-(2,6-difluorophenoxy)hexan-2-ol
CID 81269753
4-(2,6-difluorophenoxy)butan-2-ol
CID 81269023
2-(2-butyl-6-fluorophenoxy)ethanol
CID 58241999

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-(4-methylpentoxy)phenyl]methanol?
The IUPAC name of [3-fluoro-2-(4-methylpentoxy)phenyl]methanol (CID 112613210) is [3-fluoro-2-(4-methylpentoxy)phenyl]methanol.
What is the SMILES notation for [3-fluoro-2-(4-methylpentoxy)phenyl]methanol?
The canonical SMILES for [3-fluoro-2-(4-methylpentoxy)phenyl]methanol is CC(C)CCCOc1c(F)cccc1CO.
What is the InChIKey of [3-fluoro-2-(4-methylpentoxy)phenyl]methanol?
The InChIKey is KAYSWYVFVNOAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO2/c1-10(2)5-4-8-16-13-11(9-15)6-3-7-12(13)14/h3,6-7,10,15H,4-5,8-9H2,1-2H3.
What are the key properties of [3-fluoro-2-(4-methylpentoxy)phenyl]methanol?
[3-fluoro-2-(4-methylpentoxy)phenyl]methanol has a molecular weight of 226.29 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-(4-methylpentoxy)phenyl]methanol is sourced from PubChem (CID 112613210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).