[3-(hydroxymethyl)-2H-pyran-2-yl]methanol

C7H10O3 — CID 150296663

IUPAC[3-(hydroxymethyl)-2H-pyran-2-yl]methanol
SMILESOCC1=CC=COC1CO
InChIInChI=1S/C7H10O3/c8-4-6-2-1-3-10-7(6)5-9/h1-3,7-9H,4-5H2
InChIKeyGISNYMRMLAZCRR-UHFFFAOYSA-N
MW142.15 g/mol
LogP-0.19
Rot. Bonds2

About [3-(hydroxymethyl)-2H-pyran-2-yl]methanol

[3-(hydroxymethyl)-2H-pyran-2-yl]methanol (PubChem CID 150296663) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is [3-(hydroxymethyl)-2H-pyran-2-yl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)-2H-pyran-2-yl]methanol
PubChem CID150296663
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name[3-(hydroxymethyl)-2H-pyran-2-yl]methanol
SMILESOCC1=CC=COC1CO
InChIInChI=1S/C7H10O3/c8-4-6-2-1-3-10-7(6)5-9/h1-3,7-9H,4-5H2
InChIKeyGISNYMRMLAZCRR-UHFFFAOYSA-N
XLogP-0.19
TPSA49.69 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 ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-2H-pyran-2-yl]methanol?
The IUPAC name of [3-(hydroxymethyl)-2H-pyran-2-yl]methanol (CID 150296663) is [3-(hydroxymethyl)-2H-pyran-2-yl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)-2H-pyran-2-yl]methanol?
The canonical SMILES for [3-(hydroxymethyl)-2H-pyran-2-yl]methanol is OCC1=CC=COC1CO.
What is the InChIKey of [3-(hydroxymethyl)-2H-pyran-2-yl]methanol?
The InChIKey is GISNYMRMLAZCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c8-4-6-2-1-3-10-7(6)5-9/h1-3,7-9H,4-5H2.
What are the key properties of [3-(hydroxymethyl)-2H-pyran-2-yl]methanol?
[3-(hydroxymethyl)-2H-pyran-2-yl]methanol has a molecular weight of 142.15 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-2H-pyran-2-yl]methanol is sourced from PubChem (CID 150296663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).