2H-pyran-4-ylmethanol

C6H8O2 — CID 67345650

IUPAC2H-pyran-4-ylmethanol
SMILESOCC1=CCOC=C1
InChIInChI=1S/C6H8O2/c7-5-6-1-3-8-4-2-6/h1-3,7H,4-5H2
InChIKeyOZQVJZJYPJOTNB-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.45
Rot. Bonds1

About 2H-pyran-4-ylmethanol

2H-pyran-4-ylmethanol (PubChem CID 67345650) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is 2H-pyran-4-ylmethanol.

Molecular Properties

Compound Name2H-pyran-4-ylmethanol
PubChem CID67345650
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name2H-pyran-4-ylmethanol
SMILESOCC1=CCOC=C1
InChIInChI=1S/C6H8O2/c7-5-6-1-3-8-4-2-6/h1-3,7H,4-5H2
InChIKeyOZQVJZJYPJOTNB-UHFFFAOYSA-N
XLogP0.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-pyran-4-ylmethanol?
The IUPAC name of 2H-pyran-4-ylmethanol (CID 67345650) is 2H-pyran-4-ylmethanol.
What is the SMILES notation for 2H-pyran-4-ylmethanol?
The canonical SMILES for 2H-pyran-4-ylmethanol is OCC1=CCOC=C1.
What is the InChIKey of 2H-pyran-4-ylmethanol?
The InChIKey is OZQVJZJYPJOTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2/c7-5-6-1-3-8-4-2-6/h1-3,7H,4-5H2.
What are the key properties of 2H-pyran-4-ylmethanol?
2H-pyran-4-ylmethanol has a molecular weight of 112.13 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyran-4-ylmethanol is sourced from PubChem (CID 67345650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).