6-methoxy-2H-pyran

C6H8O2 — CID 22556033

IUPAC6-methoxy-2H-pyran
SMILESCOC1=CC=CCO1
InChIInChI=1S/C6H8O2/c1-7-6-4-2-3-5-8-6/h2-4H,5H2,1H3
InChIKeyZAWRFCZHAOBXQQ-UHFFFAOYSA-N
MW112.13 g/mol
LogP1.06
Rot. Bonds1

About 6-methoxy-2H-pyran

6-methoxy-2H-pyran (PubChem CID 22556033) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is 6-methoxy-2H-pyran.

Molecular Properties

Compound Name6-methoxy-2H-pyran
PubChem CID22556033
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name6-methoxy-2H-pyran
SMILESCOC1=CC=CCO1
InChIInChI=1S/C6H8O2/c1-7-6-4-2-3-5-8-6/h2-4H,5H2,1H3
InChIKeyZAWRFCZHAOBXQQ-UHFFFAOYSA-N
XLogP1.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-methoxy-2H-pyran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2H-pyran?
The IUPAC name of 6-methoxy-2H-pyran (CID 22556033) is 6-methoxy-2H-pyran.
What is the SMILES notation for 6-methoxy-2H-pyran?
The canonical SMILES for 6-methoxy-2H-pyran is COC1=CC=CCO1.
What is the InChIKey of 6-methoxy-2H-pyran?
The InChIKey is ZAWRFCZHAOBXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2/c1-7-6-4-2-3-5-8-6/h2-4H,5H2,1H3.
What are the key properties of 6-methoxy-2H-pyran?
6-methoxy-2H-pyran has a molecular weight of 112.13 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2H-pyran is sourced from PubChem (CID 22556033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).