2,2,7-trimethylpyrano[3,2-c]chromen-5-one

C15H14O3 — CID 13045727

IUPAC2,2,7-trimethylpyrano[3,2-c]chromen-5-one
SMILESCc1cccc2c3c(c(=O)oc12)C=CC(C)(C)O3
InChIInChI=1S/C15H14O3/c1-9-5-4-6-10-12(9)17-14(16)11-7-8-15(2,3)18-13(10)11/h4-8H,1-3H3
InChIKeyXAZXWUQBOHSUKK-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.29
Rot. Bonds

About 2,2,7-trimethylpyrano[3,2-c]chromen-5-one

2,2,7-trimethylpyrano[3,2-c]chromen-5-one (PubChem CID 13045727) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2,2,7-trimethylpyrano[3,2-c]chromen-5-one.

Molecular Properties

Compound Name2,2,7-trimethylpyrano[3,2-c]chromen-5-one
PubChem CID13045727
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name2,2,7-trimethylpyrano[3,2-c]chromen-5-one
SMILESCc1cccc2c3c(c(=O)oc12)C=CC(C)(C)O3
InChIInChI=1S/C15H14O3/c1-9-5-4-6-10-12(9)17-14(16)11-7-8-15(2,3)18-13(10)11/h4-8H,1-3H3
InChIKeyXAZXWUQBOHSUKK-UHFFFAOYSA-N
XLogP3.29
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,7-trimethylpyrano[3,2-c]chromen-5-one?
The IUPAC name of 2,2,7-trimethylpyrano[3,2-c]chromen-5-one (CID 13045727) is 2,2,7-trimethylpyrano[3,2-c]chromen-5-one.
What is the SMILES notation for 2,2,7-trimethylpyrano[3,2-c]chromen-5-one?
The canonical SMILES for 2,2,7-trimethylpyrano[3,2-c]chromen-5-one is Cc1cccc2c3c(c(=O)oc12)C=CC(C)(C)O3.
What is the InChIKey of 2,2,7-trimethylpyrano[3,2-c]chromen-5-one?
The InChIKey is XAZXWUQBOHSUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-9-5-4-6-10-12(9)17-14(16)11-7-8-15(2,3)18-13(10)11/h4-8H,1-3H3.
What are the key properties of 2,2,7-trimethylpyrano[3,2-c]chromen-5-one?
2,2,7-trimethylpyrano[3,2-c]chromen-5-one has a molecular weight of 242.27 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,7-trimethylpyrano[3,2-c]chromen-5-one is sourced from PubChem (CID 13045727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).