bis(furan-2-yl)methanol

C9H8O3 — CID 12685004

IUPACbis(furan-2-yl)methanol
SMILESOC(c1ccco1)c1ccco1
InChIInChI=1S/C9H8O3/c10-9(7-3-1-5-11-7)8-4-2-6-12-8/h1-6,9-10H
InChIKeyLYVJVIRGWPHKMK-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.95
Rot. Bonds2

About bis(furan-2-yl)methanol

bis(furan-2-yl)methanol (PubChem CID 12685004) has the molecular formula C9H8O3 and a molecular weight of 164.16 g/mol. Its IUPAC name is bis(furan-2-yl)methanol.

Molecular Properties

Compound Namebis(furan-2-yl)methanol
PubChem CID12685004
Molecular FormulaC9H8O3
Molecular Weight164.16 g/mol
Exact Mass164.05
IUPAC Namebis(furan-2-yl)methanol
SMILESOC(c1ccco1)c1ccco1
InChIInChI=1S/C9H8O3/c10-9(7-3-1-5-11-7)8-4-2-6-12-8/h1-6,9-10H
InChIKeyLYVJVIRGWPHKMK-UHFFFAOYSA-N
XLogP1.95
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Furoin
CID 11100
2-(2-Furfuryl)furan
CID 70972
2-(1-Hydroxypropyl)furan
CID 33640
1-(2-Furyl)ethanol
CID 107243
alpha-Hydroxy-2-furanacetic acid
CID 86860
Methyl 5-{[5-(methoxycarbonyl)furan-2-yl]methyl}furan-2-carboxylate
CID 372639
5-[(5-Carboxyfuran-2-yl)methyl]furan-2-carboxylic acid
CID 927848
2,2'-Bifuran
CID 80006
(2,2'-Bifuran)-5,5'-dicarbaldehyde
CID 605367
2-(2-Furanylmethyl)-5-methylfuran
CID 595524
1,2-Bis(furan-2-yl)ethane-1,2-diol, meso
CID 566338
(1R)-1-(furan-2-yl)ethan-1-ol
CID 642107

Frequently Asked Questions

What is the IUPAC name of bis(furan-2-yl)methanol?
The IUPAC name of bis(furan-2-yl)methanol (CID 12685004) is bis(furan-2-yl)methanol.
What is the SMILES notation for bis(furan-2-yl)methanol?
The canonical SMILES for bis(furan-2-yl)methanol is OC(c1ccco1)c1ccco1.
What is the InChIKey of bis(furan-2-yl)methanol?
The InChIKey is LYVJVIRGWPHKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3/c10-9(7-3-1-5-11-7)8-4-2-6-12-8/h1-6,9-10H.
What are the key properties of bis(furan-2-yl)methanol?
bis(furan-2-yl)methanol has a molecular weight of 164.16 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(furan-2-yl)methanol is sourced from PubChem (CID 12685004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).