1-(furan-3-yl)-2-methoxycyclohexan-1-ol

C11H16O3 — CID 106873777

IUPAC1-(furan-3-yl)-2-methoxycyclohexan-1-ol
SMILESCOC1CCCCC1(O)c1ccoc1
InChIInChI=1S/C11H16O3/c1-13-10-4-2-3-6-11(10,12)9-5-7-14-8-9/h5,7-8,10,12H,2-4,6H2,1H3
InChIKeyGBQXRUPKCURFCA-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.06
Rot. Bonds2

About 1-(furan-3-yl)-2-methoxycyclohexan-1-ol

1-(furan-3-yl)-2-methoxycyclohexan-1-ol (PubChem CID 106873777) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(furan-3-yl)-2-methoxycyclohexan-1-ol.

Molecular Properties

Compound Name1-(furan-3-yl)-2-methoxycyclohexan-1-ol
PubChem CID106873777
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name1-(furan-3-yl)-2-methoxycyclohexan-1-ol
SMILESCOC1CCCCC1(O)c1ccoc1
InChIInChI=1S/C11H16O3/c1-13-10-4-2-3-6-11(10,12)9-5-7-14-8-9/h5,7-8,10,12H,2-4,6H2,1H3
InChIKeyGBQXRUPKCURFCA-UHFFFAOYSA-N
XLogP2.06
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-2-methoxycyclohexan-1-ol?
The IUPAC name of 1-(furan-3-yl)-2-methoxycyclohexan-1-ol (CID 106873777) is 1-(furan-3-yl)-2-methoxycyclohexan-1-ol.
What is the SMILES notation for 1-(furan-3-yl)-2-methoxycyclohexan-1-ol?
The canonical SMILES for 1-(furan-3-yl)-2-methoxycyclohexan-1-ol is COC1CCCCC1(O)c1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-2-methoxycyclohexan-1-ol?
The InChIKey is GBQXRUPKCURFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-13-10-4-2-3-6-11(10,12)9-5-7-14-8-9/h5,7-8,10,12H,2-4,6H2,1H3.
What are the key properties of 1-(furan-3-yl)-2-methoxycyclohexan-1-ol?
1-(furan-3-yl)-2-methoxycyclohexan-1-ol has a molecular weight of 196.25 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-2-methoxycyclohexan-1-ol is sourced from PubChem (CID 106873777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).