[2-(hydroxymethyl)-5-methylfuran-3-yl]methanol

C7H10O3 — CID 66616345

IUPAC[2-(hydroxymethyl)-5-methylfuran-3-yl]methanol
SMILESCc1cc(CO)c(CO)o1
InChIInChI=1S/C7H10O3/c1-5-2-6(3-8)7(4-9)10-5/h2,8-9H,3-4H2,1H3
InChIKeyLIXSHAWKRNJELH-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.57
Rot. Bonds2

About [2-(hydroxymethyl)-5-methylfuran-3-yl]methanol

[2-(hydroxymethyl)-5-methylfuran-3-yl]methanol (PubChem CID 66616345) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is [2-(hydroxymethyl)-5-methylfuran-3-yl]methanol.

Molecular Properties

Compound Name[2-(hydroxymethyl)-5-methylfuran-3-yl]methanol
PubChem CID66616345
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name[2-(hydroxymethyl)-5-methylfuran-3-yl]methanol
SMILESCc1cc(CO)c(CO)o1
InChIInChI=1S/C7H10O3/c1-5-2-6(3-8)7(4-9)10-5/h2,8-9H,3-4H2,1H3
InChIKeyLIXSHAWKRNJELH-UHFFFAOYSA-N
XLogP0.57
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-5-methylfuran-3-yl]methanol?
The IUPAC name of [2-(hydroxymethyl)-5-methylfuran-3-yl]methanol (CID 66616345) is [2-(hydroxymethyl)-5-methylfuran-3-yl]methanol.
What is the SMILES notation for [2-(hydroxymethyl)-5-methylfuran-3-yl]methanol?
The canonical SMILES for [2-(hydroxymethyl)-5-methylfuran-3-yl]methanol is Cc1cc(CO)c(CO)o1.
What is the InChIKey of [2-(hydroxymethyl)-5-methylfuran-3-yl]methanol?
The InChIKey is LIXSHAWKRNJELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-5-2-6(3-8)7(4-9)10-5/h2,8-9H,3-4H2,1H3.
What are the key properties of [2-(hydroxymethyl)-5-methylfuran-3-yl]methanol?
[2-(hydroxymethyl)-5-methylfuran-3-yl]methanol has a molecular weight of 142.15 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-5-methylfuran-3-yl]methanol is sourced from PubChem (CID 66616345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).