2-ethyl-6-phenylpyran-4-one

C13H12O2 — CID 134912042

IUPAC2-ethyl-6-phenylpyran-4-one
SMILESCCc1cc(=O)cc(-c2ccccc2)o1
InChIInChI=1S/C13H12O2/c1-2-12-8-11(14)9-13(15-12)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyQCCBRVYRPUTEJT-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.87
Rot. Bonds2

About 2-ethyl-6-phenylpyran-4-one

2-ethyl-6-phenylpyran-4-one (PubChem CID 134912042) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-ethyl-6-phenylpyran-4-one.

Molecular Properties

Compound Name2-ethyl-6-phenylpyran-4-one
PubChem CID134912042
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name2-ethyl-6-phenylpyran-4-one
SMILESCCc1cc(=O)cc(-c2ccccc2)o1
InChIInChI=1S/C13H12O2/c1-2-12-8-11(14)9-13(15-12)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyQCCBRVYRPUTEJT-UHFFFAOYSA-N
XLogP2.87
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-phenylpyran-4-one?
The IUPAC name of 2-ethyl-6-phenylpyran-4-one (CID 134912042) is 2-ethyl-6-phenylpyran-4-one.
What is the SMILES notation for 2-ethyl-6-phenylpyran-4-one?
The canonical SMILES for 2-ethyl-6-phenylpyran-4-one is CCc1cc(=O)cc(-c2ccccc2)o1.
What is the InChIKey of 2-ethyl-6-phenylpyran-4-one?
The InChIKey is QCCBRVYRPUTEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c1-2-12-8-11(14)9-13(15-12)10-6-4-3-5-7-10/h3-9H,2H2,1H3.
What are the key properties of 2-ethyl-6-phenylpyran-4-one?
2-ethyl-6-phenylpyran-4-one has a molecular weight of 200.24 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-phenylpyran-4-one is sourced from PubChem (CID 134912042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).