4-methoxy-6-propylpyran-2-one

C9H12O3 — CID 11286684

IUPAC4-methoxy-6-propylpyran-2-one
SMILESCCCc1cc(OC)cc(=O)o1
InChIInChI=1S/C9H12O3/c1-3-4-7-5-8(11-2)6-9(10)12-7/h5-6H,3-4H2,1-2H3
InChIKeyRCKBJIXCWVUPOX-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.60
Rot. Bonds3

About 4-methoxy-6-propylpyran-2-one

4-methoxy-6-propylpyran-2-one (PubChem CID 11286684) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 4-methoxy-6-propylpyran-2-one.

Molecular Properties

Compound Name4-methoxy-6-propylpyran-2-one
PubChem CID11286684
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name4-methoxy-6-propylpyran-2-one
SMILESCCCc1cc(OC)cc(=O)o1
InChIInChI=1S/C9H12O3/c1-3-4-7-5-8(11-2)6-9(10)12-7/h5-6H,3-4H2,1-2H3
InChIKeyRCKBJIXCWVUPOX-UHFFFAOYSA-N
XLogP1.60
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-propylpyran-2-one?
The IUPAC name of 4-methoxy-6-propylpyran-2-one (CID 11286684) is 4-methoxy-6-propylpyran-2-one.
What is the SMILES notation for 4-methoxy-6-propylpyran-2-one?
The canonical SMILES for 4-methoxy-6-propylpyran-2-one is CCCc1cc(OC)cc(=O)o1.
What is the InChIKey of 4-methoxy-6-propylpyran-2-one?
The InChIKey is RCKBJIXCWVUPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-3-4-7-5-8(11-2)6-9(10)12-7/h5-6H,3-4H2,1-2H3.
What are the key properties of 4-methoxy-6-propylpyran-2-one?
4-methoxy-6-propylpyran-2-one has a molecular weight of 168.19 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-propylpyran-2-one is sourced from PubChem (CID 11286684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).