3-(furan-3-ylmethyl)oxan-3-ol

C10H14O3 — CID 83172042

IUPAC3-(furan-3-ylmethyl)oxan-3-ol
SMILESOC1(Cc2ccoc2)CCCOC1
InChIInChI=1S/C10H14O3/c11-10(3-1-4-13-8-10)6-9-2-5-12-7-9/h2,5,7,11H,1,3-4,6,8H2
InChIKeyYSUXHHJSOZOYPM-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.36
Rot. Bonds2

About 3-(furan-3-ylmethyl)oxan-3-ol

3-(furan-3-ylmethyl)oxan-3-ol (PubChem CID 83172042) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-(furan-3-ylmethyl)oxan-3-ol.

Molecular Properties

Compound Name3-(furan-3-ylmethyl)oxan-3-ol
PubChem CID83172042
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name3-(furan-3-ylmethyl)oxan-3-ol
SMILESOC1(Cc2ccoc2)CCCOC1
InChIInChI=1S/C10H14O3/c11-10(3-1-4-13-8-10)6-9-2-5-12-7-9/h2,5,7,11H,1,3-4,6,8H2
InChIKeyYSUXHHJSOZOYPM-UHFFFAOYSA-N
XLogP1.36
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-ylmethyl)oxan-3-ol?
The IUPAC name of 3-(furan-3-ylmethyl)oxan-3-ol (CID 83172042) is 3-(furan-3-ylmethyl)oxan-3-ol.
What is the SMILES notation for 3-(furan-3-ylmethyl)oxan-3-ol?
The canonical SMILES for 3-(furan-3-ylmethyl)oxan-3-ol is OC1(Cc2ccoc2)CCCOC1.
What is the InChIKey of 3-(furan-3-ylmethyl)oxan-3-ol?
The InChIKey is YSUXHHJSOZOYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c11-10(3-1-4-13-8-10)6-9-2-5-12-7-9/h2,5,7,11H,1,3-4,6,8H2.
What are the key properties of 3-(furan-3-ylmethyl)oxan-3-ol?
3-(furan-3-ylmethyl)oxan-3-ol has a molecular weight of 182.22 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-ylmethyl)oxan-3-ol is sourced from PubChem (CID 83172042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).