1-(4-methoxycyclohexyl)cyclohexan-1-ol

C13H24O2 — CID 18605846

IUPAC1-(4-methoxycyclohexyl)cyclohexan-1-ol
SMILESCOC1CCC(C2(O)CCCCC2)CC1
InChIInChI=1S/C13H24O2/c1-15-12-7-5-11(6-8-12)13(14)9-3-2-4-10-13/h11-12,14H,2-10H2,1H3
InChIKeyNXNJSCZJALIHCO-UHFFFAOYSA-N
MW212.33 g/mol
LogP2.89
Rot. Bonds2

About 1-(4-methoxycyclohexyl)cyclohexan-1-ol

1-(4-methoxycyclohexyl)cyclohexan-1-ol (PubChem CID 18605846) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 1-(4-methoxycyclohexyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-methoxycyclohexyl)cyclohexan-1-ol
PubChem CID18605846
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name1-(4-methoxycyclohexyl)cyclohexan-1-ol
SMILESCOC1CCC(C2(O)CCCCC2)CC1
InChIInChI=1S/C13H24O2/c1-15-12-7-5-11(6-8-12)13(14)9-3-2-4-10-13/h11-12,14H,2-10H2,1H3
InChIKeyNXNJSCZJALIHCO-UHFFFAOYSA-N
XLogP2.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxycyclohexyl)cyclohexan-1-ol?
The IUPAC name of 1-(4-methoxycyclohexyl)cyclohexan-1-ol (CID 18605846) is 1-(4-methoxycyclohexyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(4-methoxycyclohexyl)cyclohexan-1-ol?
The canonical SMILES for 1-(4-methoxycyclohexyl)cyclohexan-1-ol is COC1CCC(C2(O)CCCCC2)CC1.
What is the InChIKey of 1-(4-methoxycyclohexyl)cyclohexan-1-ol?
The InChIKey is NXNJSCZJALIHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-15-12-7-5-11(6-8-12)13(14)9-3-2-4-10-13/h11-12,14H,2-10H2,1H3.
What are the key properties of 1-(4-methoxycyclohexyl)cyclohexan-1-ol?
1-(4-methoxycyclohexyl)cyclohexan-1-ol has a molecular weight of 212.33 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxycyclohexyl)cyclohexan-1-ol is sourced from PubChem (CID 18605846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).