furan-3-ylmethanol

C5H6O2 — CID 20449

IUPACfuran-3-ylmethanol
SMILESOCc1ccoc1
InChIInChI=1S/C5H6O2/c6-3-5-1-2-7-4-5/h1-2,4,6H,3H2
InChIKeySTJIISDMSMJQQK-UHFFFAOYSA-N
MW98.10 g/mol
LogP0.77
Rot. Bonds1

About furan-3-ylmethanol

furan-3-ylmethanol (PubChem CID 20449) has the molecular formula C5H6O2 and a molecular weight of 98.10 g/mol. Its IUPAC name is furan-3-ylmethanol.

Molecular Properties

Compound Namefuran-3-ylmethanol
PubChem CID20449
Molecular FormulaC5H6O2
Molecular Weight98.10 g/mol
Exact Mass98.04
IUPAC Namefuran-3-ylmethanol
SMILESOCc1ccoc1
InChIInChI=1S/C5H6O2/c6-3-5-1-2-7-4-5/h1-2,4,6H,3H2
InChIKeySTJIISDMSMJQQK-UHFFFAOYSA-N
XLogP0.77
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of furan-3-ylmethanol?
The IUPAC name of furan-3-ylmethanol (CID 20449) is furan-3-ylmethanol.
What is the SMILES notation for furan-3-ylmethanol?
The canonical SMILES for furan-3-ylmethanol is OCc1ccoc1.
What is the InChIKey of furan-3-ylmethanol?
The InChIKey is STJIISDMSMJQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O2/c6-3-5-1-2-7-4-5/h1-2,4,6H,3H2.
What are the key properties of furan-3-ylmethanol?
furan-3-ylmethanol has a molecular weight of 98.10 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-ylmethanol is sourced from PubChem (CID 20449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).