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

C11H16O2 — CID 63950202

IUPAC2-(furan-3-yl)cycloheptan-1-ol
SMILESOC1CCCCCC1c1ccoc1
InChIInChI=1S/C11H16O2/c12-11-5-3-1-2-4-10(11)9-6-7-13-8-9/h6-8,10-12H,1-5H2
InChIKeyQPWOEMOVXSPZSH-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.69
Rot. Bonds1

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

2-(furan-3-yl)cycloheptan-1-ol (PubChem CID 63950202) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(furan-3-yl)cycloheptan-1-ol.

Molecular Properties

Compound Name2-(furan-3-yl)cycloheptan-1-ol
PubChem CID63950202
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-(furan-3-yl)cycloheptan-1-ol
SMILESOC1CCCCCC1c1ccoc1
InChIInChI=1S/C11H16O2/c12-11-5-3-1-2-4-10(11)9-6-7-13-8-9/h6-8,10-12H,1-5H2
InChIKeyQPWOEMOVXSPZSH-UHFFFAOYSA-N
XLogP2.69
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)cycloheptan-1-ol?
The IUPAC name of 2-(furan-3-yl)cycloheptan-1-ol (CID 63950202) is 2-(furan-3-yl)cycloheptan-1-ol.
What is the SMILES notation for 2-(furan-3-yl)cycloheptan-1-ol?
The canonical SMILES for 2-(furan-3-yl)cycloheptan-1-ol is OC1CCCCCC1c1ccoc1.
What is the InChIKey of 2-(furan-3-yl)cycloheptan-1-ol?
The InChIKey is QPWOEMOVXSPZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c12-11-5-3-1-2-4-10(11)9-6-7-13-8-9/h6-8,10-12H,1-5H2.
What are the key properties of 2-(furan-3-yl)cycloheptan-1-ol?
2-(furan-3-yl)cycloheptan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)cycloheptan-1-ol is sourced from PubChem (CID 63950202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).