[2-(furan-2-yl)-1,3-dioxolan-4-yl]methanol

C8H10O4 — CID 15573

IUPAC[2-(furan-2-yl)-1,3-dioxolan-4-yl]methanol
SMILESOCC1COC(c2ccco2)O1
InChIInChI=1S/C8H10O4/c9-4-6-5-11-8(12-6)7-2-1-3-10-7/h1-3,6,8-9H,4-5H2
InChIKeyBKRXMKVDYAWYHS-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.69
Rot. Bonds2

About [2-(furan-2-yl)-1,3-dioxolan-4-yl]methanol

[2-(furan-2-yl)-1,3-dioxolan-4-yl]methanol (PubChem CID 15573) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is [2-(furan-2-yl)-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[2-(furan-2-yl)-1,3-dioxolan-4-yl]methanol
PubChem CID15573
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name[2-(furan-2-yl)-1,3-dioxolan-4-yl]methanol
SMILESOCC1COC(c2ccco2)O1
InChIInChI=1S/C8H10O4/c9-4-6-5-11-8(12-6)7-2-1-3-10-7/h1-3,6,8-9H,4-5H2
InChIKeyBKRXMKVDYAWYHS-UHFFFAOYSA-N
XLogP0.69
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [2-(furan-2-yl)-1,3-dioxolan-4-yl]methanol (CID 15573) is [2-(furan-2-yl)-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [2-(furan-2-yl)-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [2-(furan-2-yl)-1,3-dioxolan-4-yl]methanol is OCC1COC(c2ccco2)O1.
What is the InChIKey of [2-(furan-2-yl)-1,3-dioxolan-4-yl]methanol?
The InChIKey is BKRXMKVDYAWYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c9-4-6-5-11-8(12-6)7-2-1-3-10-7/h1-3,6,8-9H,4-5H2.
What are the key properties of [2-(furan-2-yl)-1,3-dioxolan-4-yl]methanol?
[2-(furan-2-yl)-1,3-dioxolan-4-yl]methanol has a molecular weight of 170.16 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 15573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).