4-[4-(hydroxymethoxy)phenyl]cyclohexan-1-ol

C13H18O3 — CID 71195872

IUPAC4-[4-(hydroxymethoxy)phenyl]cyclohexan-1-ol
SMILESOCOc1ccc(C2CCC(O)CC2)cc1
InChIInChI=1S/C13H18O3/c14-9-16-13-7-3-11(4-8-13)10-1-5-12(15)6-2-10/h3-4,7-8,10,12,14-15H,1-2,5-6,9H2
InChIKeyIGPCOBGUSVCEFG-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.03
Rot. Bonds3

About 4-[4-(hydroxymethoxy)phenyl]cyclohexan-1-ol

4-[4-(hydroxymethoxy)phenyl]cyclohexan-1-ol (PubChem CID 71195872) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 4-[4-(hydroxymethoxy)phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-(hydroxymethoxy)phenyl]cyclohexan-1-ol
PubChem CID71195872
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name4-[4-(hydroxymethoxy)phenyl]cyclohexan-1-ol
SMILESOCOc1ccc(C2CCC(O)CC2)cc1
InChIInChI=1S/C13H18O3/c14-9-16-13-7-3-11(4-8-13)10-1-5-12(15)6-2-10/h3-4,7-8,10,12,14-15H,1-2,5-6,9H2
InChIKeyIGPCOBGUSVCEFG-UHFFFAOYSA-N
XLogP2.03
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydroxymethoxy)phenyl]cyclohexan-1-ol?
The IUPAC name of 4-[4-(hydroxymethoxy)phenyl]cyclohexan-1-ol (CID 71195872) is 4-[4-(hydroxymethoxy)phenyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[4-(hydroxymethoxy)phenyl]cyclohexan-1-ol?
The canonical SMILES for 4-[4-(hydroxymethoxy)phenyl]cyclohexan-1-ol is OCOc1ccc(C2CCC(O)CC2)cc1.
What is the InChIKey of 4-[4-(hydroxymethoxy)phenyl]cyclohexan-1-ol?
The InChIKey is IGPCOBGUSVCEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c14-9-16-13-7-3-11(4-8-13)10-1-5-12(15)6-2-10/h3-4,7-8,10,12,14-15H,1-2,5-6,9H2.
What are the key properties of 4-[4-(hydroxymethoxy)phenyl]cyclohexan-1-ol?
4-[4-(hydroxymethoxy)phenyl]cyclohexan-1-ol has a molecular weight of 222.28 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydroxymethoxy)phenyl]cyclohexan-1-ol is sourced from PubChem (CID 71195872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).