1-[[4-(3-hydroxybutyl)phenoxy]methyl]cyclohexan-1-ol

C17H26O3 — CID 65213368

IUPAC1-[[4-(3-hydroxybutyl)phenoxy]methyl]cyclohexan-1-ol
SMILESCC(O)CCc1ccc(OCC2(O)CCCCC2)cc1
InChIInChI=1S/C17H26O3/c1-14(18)5-6-15-7-9-16(10-8-15)20-13-17(19)11-3-2-4-12-17/h7-10,14,18-19H,2-6,11-13H2,1H3
InChIKeyQOXZRESTSNOJAI-UHFFFAOYSA-N
MW278.39 g/mol
LogP3.07
Rot. Bonds6

About 1-[[4-(3-hydroxybutyl)phenoxy]methyl]cyclohexan-1-ol

1-[[4-(3-hydroxybutyl)phenoxy]methyl]cyclohexan-1-ol (PubChem CID 65213368) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 1-[[4-(3-hydroxybutyl)phenoxy]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[4-(3-hydroxybutyl)phenoxy]methyl]cyclohexan-1-ol
PubChem CID65213368
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name1-[[4-(3-hydroxybutyl)phenoxy]methyl]cyclohexan-1-ol
SMILESCC(O)CCc1ccc(OCC2(O)CCCCC2)cc1
InChIInChI=1S/C17H26O3/c1-14(18)5-6-15-7-9-16(10-8-15)20-13-17(19)11-3-2-4-12-17/h7-10,14,18-19H,2-6,11-13H2,1H3
InChIKeyQOXZRESTSNOJAI-UHFFFAOYSA-N
XLogP3.07
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3-hydroxybutyl)phenoxy]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[4-(3-hydroxybutyl)phenoxy]methyl]cyclohexan-1-ol (CID 65213368) is 1-[[4-(3-hydroxybutyl)phenoxy]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[4-(3-hydroxybutyl)phenoxy]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[4-(3-hydroxybutyl)phenoxy]methyl]cyclohexan-1-ol is CC(O)CCc1ccc(OCC2(O)CCCCC2)cc1.
What is the InChIKey of 1-[[4-(3-hydroxybutyl)phenoxy]methyl]cyclohexan-1-ol?
The InChIKey is QOXZRESTSNOJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-14(18)5-6-15-7-9-16(10-8-15)20-13-17(19)11-3-2-4-12-17/h7-10,14,18-19H,2-6,11-13H2,1H3.
What are the key properties of 1-[[4-(3-hydroxybutyl)phenoxy]methyl]cyclohexan-1-ol?
1-[[4-(3-hydroxybutyl)phenoxy]methyl]cyclohexan-1-ol has a molecular weight of 278.39 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-hydroxybutyl)phenoxy]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65213368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).