4-[4-(2-hydroxypropyl)phenoxy]butan-1-ol

C13H20O3 — CID 115495833

IUPAC4-[4-(2-hydroxypropyl)phenoxy]butan-1-ol
SMILESCC(O)Cc1ccc(OCCCCO)cc1
InChIInChI=1S/C13H20O3/c1-11(15)10-12-4-6-13(7-5-12)16-9-3-2-8-14/h4-7,11,14-15H,2-3,8-10H2,1H3
InChIKeyFOZDDKPQZQXAJI-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.76
Rot. Bonds7

About 4-[4-(2-hydroxypropyl)phenoxy]butan-1-ol

4-[4-(2-hydroxypropyl)phenoxy]butan-1-ol (PubChem CID 115495833) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-[4-(2-hydroxypropyl)phenoxy]butan-1-ol.

Molecular Properties

Compound Name4-[4-(2-hydroxypropyl)phenoxy]butan-1-ol
PubChem CID115495833
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name4-[4-(2-hydroxypropyl)phenoxy]butan-1-ol
SMILESCC(O)Cc1ccc(OCCCCO)cc1
InChIInChI=1S/C13H20O3/c1-11(15)10-12-4-6-13(7-5-12)16-9-3-2-8-14/h4-7,11,14-15H,2-3,8-10H2,1H3
InChIKeyFOZDDKPQZQXAJI-UHFFFAOYSA-N
XLogP1.76
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-methoxybutoxy)phenyl]propan-2-ol
CID 104648035
1-[4-(3-fluoropropoxy)phenyl]propan-2-ol
CID 115495812
5-[4-(2-hydroxypropyl)phenoxy]pentanenitrile
CID 113323096
5-[4-[(1S)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 78930532
5-[4-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 63364105
1-[4-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-2-ol
CID 115495880
6-(4-propan-2-ylphenoxy)hexan-1-ol
CID 103801838
methyl 3-[4-(2-hydroxypropyl)phenoxy]propanoate
CID 113323144
5-[4-(2-hydroxypropyl)phenoxy]-2,2-dimethylpentanenitrile
CID 115495729
1-[4-(2-isothiocyanatoethoxy)phenyl]propan-2-ol
CID 56629229
4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol
CID 71340264
8-[4-(aminomethyl)phenoxy]octan-1-ol
CID 71278332

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxypropyl)phenoxy]butan-1-ol?
The IUPAC name of 4-[4-(2-hydroxypropyl)phenoxy]butan-1-ol (CID 115495833) is 4-[4-(2-hydroxypropyl)phenoxy]butan-1-ol.
What is the SMILES notation for 4-[4-(2-hydroxypropyl)phenoxy]butan-1-ol?
The canonical SMILES for 4-[4-(2-hydroxypropyl)phenoxy]butan-1-ol is CC(O)Cc1ccc(OCCCCO)cc1.
What is the InChIKey of 4-[4-(2-hydroxypropyl)phenoxy]butan-1-ol?
The InChIKey is FOZDDKPQZQXAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-11(15)10-12-4-6-13(7-5-12)16-9-3-2-8-14/h4-7,11,14-15H,2-3,8-10H2,1H3.
What are the key properties of 4-[4-(2-hydroxypropyl)phenoxy]butan-1-ol?
4-[4-(2-hydroxypropyl)phenoxy]butan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxypropyl)phenoxy]butan-1-ol is sourced from PubChem (CID 115495833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).