[3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methanol

C13H19FO4 — CID 103180585

IUPAC[3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methanol
SMILESCOCCCOCCOc1c(F)cccc1CO
InChIInChI=1S/C13H19FO4/c1-16-6-3-7-17-8-9-18-13-11(10-15)4-2-5-12(13)14/h2,4-5,15H,3,6-10H2,1H3
InChIKeyHKOSFIOMXUYHIJ-UHFFFAOYSA-N
MW258.29 g/mol
LogP1.75
Rot. Bonds9

About [3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methanol

[3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methanol (PubChem CID 103180585) has the molecular formula C13H19FO4 and a molecular weight of 258.29 g/mol. Its IUPAC name is [3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methanol
PubChem CID103180585
Molecular FormulaC13H19FO4
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name[3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methanol
SMILESCOCCCOCCOc1c(F)cccc1CO
InChIInChI=1S/C13H19FO4/c1-16-6-3-7-17-8-9-18-13-11(10-15)4-2-5-12(13)14/h2,4-5,15H,3,6-10H2,1H3
InChIKeyHKOSFIOMXUYHIJ-UHFFFAOYSA-N
XLogP1.75
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-(3-methoxypropoxy)ethoxy]benzaldehyde
CID 103179950
(3-fluoro-2-heptoxyphenyl)methanol
CID 112612964
N-[[3-fluoro-2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 112609648
[3-fluoro-2-(4-methylpentoxy)phenyl]methanol
CID 112613210
1-[3-fluoro-2-(3-methoxypropoxy)phenyl]propan-2-amine
CID 112615799
1-[3-fluoro-2-(4-methoxybutoxy)phenyl]-N-methylmethanamine
CID 104647167
4-[2-fluoro-6-(hydroxymethyl)phenoxy]-N,N-dimethylbutanamide
CID 112613189
4-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-methylbutanamide
CID 112613187
2-[2-[2-(3-methoxypropoxy)ethoxy]-3-methylphenyl]ethanamine
CID 103181898
2-fluoro-6-[2-(3-methoxypropoxy)ethoxy]benzenecarbothioamide
CID 103177656
N-[[2-(2-butoxyethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 115955145

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methanol?
The IUPAC name of [3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methanol (CID 103180585) is [3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methanol.
What is the SMILES notation for [3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methanol?
The canonical SMILES for [3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methanol is COCCCOCCOc1c(F)cccc1CO.
What is the InChIKey of [3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methanol?
The InChIKey is HKOSFIOMXUYHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO4/c1-16-6-3-7-17-8-9-18-13-11(10-15)4-2-5-12(13)14/h2,4-5,15H,3,6-10H2,1H3.
What are the key properties of [3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methanol?
[3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methanol has a molecular weight of 258.29 g/mol, XLogP of 1.75, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methanol is sourced from PubChem (CID 103180585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).