[6-(hydroxymethyl)-4H-pyran-2-yl]methanol

C7H10O3 — CID 23067526

IUPAC[6-(hydroxymethyl)-4H-pyran-2-yl]methanol
SMILESOCC1=CCC=C(CO)O1
InChIInChI=1S/C7H10O3/c8-4-6-2-1-3-7(5-9)10-6/h2-3,8-9H,1,4-5H2
InChIKeyCCQMGSXOBUXPDV-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.16
Rot. Bonds2

About [6-(hydroxymethyl)-4H-pyran-2-yl]methanol

[6-(hydroxymethyl)-4H-pyran-2-yl]methanol (PubChem CID 23067526) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is [6-(hydroxymethyl)-4H-pyran-2-yl]methanol.

Molecular Properties

Compound Name[6-(hydroxymethyl)-4H-pyran-2-yl]methanol
PubChem CID23067526
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name[6-(hydroxymethyl)-4H-pyran-2-yl]methanol
SMILESOCC1=CCC=C(CO)O1
InChIInChI=1S/C7H10O3/c8-4-6-2-1-3-7(5-9)10-6/h2-3,8-9H,1,4-5H2
InChIKeyCCQMGSXOBUXPDV-UHFFFAOYSA-N
XLogP0.16
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 ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(hydroxymethyl)-6-methyl-4H-pyran-4-one
CID 12006527
4,5-Dihydrofurfuryl alcohol
CID 14206225
(3,4-Dihydro-2H-pyran-6-yl)methanol
CID 12511647
2,6-Bis(hydroxymethyl)pyran-4-one
CID 11019099
(Z)-3-methoxypent-2-en-1-ol
CID 13620161
2-Methoxy-2,5-cyclohexadiene-1,4-diol
CID 129661865
3,6-dihydro-2H-pyran-5-ol
CID 13328536
2-[(Z)-pent-2-en-2-yl]oxyethanol
CID 20035854
2-Pent-2-en-2-yloxyethanol
CID 53838445
5-(Hydroxymethyl)-2,3-dihydrofuran-3-ol
CID 53838879
2-Methoxypent-2-en-1-ol
CID 57211636
2-Cyclohexa-1,4-dien-1-yloxyethanol
CID 57232312

Frequently Asked Questions

What is the IUPAC name of [6-(hydroxymethyl)-4H-pyran-2-yl]methanol?
The IUPAC name of [6-(hydroxymethyl)-4H-pyran-2-yl]methanol (CID 23067526) is [6-(hydroxymethyl)-4H-pyran-2-yl]methanol.
What is the SMILES notation for [6-(hydroxymethyl)-4H-pyran-2-yl]methanol?
The canonical SMILES for [6-(hydroxymethyl)-4H-pyran-2-yl]methanol is OCC1=CCC=C(CO)O1.
What is the InChIKey of [6-(hydroxymethyl)-4H-pyran-2-yl]methanol?
The InChIKey is CCQMGSXOBUXPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c8-4-6-2-1-3-7(5-9)10-6/h2-3,8-9H,1,4-5H2.
What are the key properties of [6-(hydroxymethyl)-4H-pyran-2-yl]methanol?
[6-(hydroxymethyl)-4H-pyran-2-yl]methanol has a molecular weight of 142.15 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(hydroxymethyl)-4H-pyran-2-yl]methanol is sourced from PubChem (CID 23067526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).