[3-(hydroxymethyl)-2,4-dihydropyran-3-yl]methanol

C7H12O3 — CID 169291221

IUPAC[3-(hydroxymethyl)-2,4-dihydropyran-3-yl]methanol
SMILESOCC1(CO)CC=COC1
InChIInChI=1S/C7H12O3/c8-4-7(5-9)2-1-3-10-6-7/h1,3,8-9H,2,4-6H2
InChIKeyMANALRFBYWJVHZ-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.11
Rot. Bonds2

About [3-(hydroxymethyl)-2,4-dihydropyran-3-yl]methanol

[3-(hydroxymethyl)-2,4-dihydropyran-3-yl]methanol (PubChem CID 169291221) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is [3-(hydroxymethyl)-2,4-dihydropyran-3-yl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)-2,4-dihydropyran-3-yl]methanol
PubChem CID169291221
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name[3-(hydroxymethyl)-2,4-dihydropyran-3-yl]methanol
SMILESOCC1(CO)CC=COC1
InChIInChI=1S/C7H12O3/c8-4-7(5-9)2-1-3-10-6-7/h1,3,8-9H,2,4-6H2
InChIKeyMANALRFBYWJVHZ-UHFFFAOYSA-N
XLogP-0.11
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-2,4-dihydropyran-3-yl]methanol?
The IUPAC name of [3-(hydroxymethyl)-2,4-dihydropyran-3-yl]methanol (CID 169291221) is [3-(hydroxymethyl)-2,4-dihydropyran-3-yl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)-2,4-dihydropyran-3-yl]methanol?
The canonical SMILES for [3-(hydroxymethyl)-2,4-dihydropyran-3-yl]methanol is OCC1(CO)CC=COC1.
What is the InChIKey of [3-(hydroxymethyl)-2,4-dihydropyran-3-yl]methanol?
The InChIKey is MANALRFBYWJVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c8-4-7(5-9)2-1-3-10-6-7/h1,3,8-9H,2,4-6H2.
What are the key properties of [3-(hydroxymethyl)-2,4-dihydropyran-3-yl]methanol?
[3-(hydroxymethyl)-2,4-dihydropyran-3-yl]methanol has a molecular weight of 144.17 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-2,4-dihydropyran-3-yl]methanol is sourced from PubChem (CID 169291221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).