2,2,10-trimethyl-3,4-dihydropyrano[3,2-c]chromen-5-one

C15H16O3 — CID 15838082

IUPAC2,2,10-trimethyl-3,4-dihydropyrano[3,2-c]chromen-5-one
SMILESCc1cccc2oc(=O)c3c(c12)OC(C)(C)CC3
InChIInChI=1S/C15H16O3/c1-9-5-4-6-11-12(9)13-10(14(16)17-11)7-8-15(2,3)18-13/h4-6H,7-8H2,1-3H3
InChIKeyIWRBSPVHSCTEFR-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.21
Rot. Bonds

About 2,2,10-trimethyl-3,4-dihydropyrano[3,2-c]chromen-5-one

2,2,10-trimethyl-3,4-dihydropyrano[3,2-c]chromen-5-one (PubChem CID 15838082) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2,2,10-trimethyl-3,4-dihydropyrano[3,2-c]chromen-5-one.

Molecular Properties

Compound Name2,2,10-trimethyl-3,4-dihydropyrano[3,2-c]chromen-5-one
PubChem CID15838082
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name2,2,10-trimethyl-3,4-dihydropyrano[3,2-c]chromen-5-one
SMILESCc1cccc2oc(=O)c3c(c12)OC(C)(C)CC3
InChIInChI=1S/C15H16O3/c1-9-5-4-6-11-12(9)13-10(14(16)17-11)7-8-15(2,3)18-13/h4-6H,7-8H2,1-3H3
InChIKeyIWRBSPVHSCTEFR-UHFFFAOYSA-N
XLogP3.21
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.21
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 2,2,10-trimethyl-3,4-dihydropyrano[3,2-c]chromen-5-one?
The IUPAC name of 2,2,10-trimethyl-3,4-dihydropyrano[3,2-c]chromen-5-one (CID 15838082) is 2,2,10-trimethyl-3,4-dihydropyrano[3,2-c]chromen-5-one.
What is the SMILES notation for 2,2,10-trimethyl-3,4-dihydropyrano[3,2-c]chromen-5-one?
The canonical SMILES for 2,2,10-trimethyl-3,4-dihydropyrano[3,2-c]chromen-5-one is Cc1cccc2oc(=O)c3c(c12)OC(C)(C)CC3.
What is the InChIKey of 2,2,10-trimethyl-3,4-dihydropyrano[3,2-c]chromen-5-one?
The InChIKey is IWRBSPVHSCTEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-9-5-4-6-11-12(9)13-10(14(16)17-11)7-8-15(2,3)18-13/h4-6H,7-8H2,1-3H3.
What are the key properties of 2,2,10-trimethyl-3,4-dihydropyrano[3,2-c]chromen-5-one?
2,2,10-trimethyl-3,4-dihydropyrano[3,2-c]chromen-5-one has a molecular weight of 244.29 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,10-trimethyl-3,4-dihydropyrano[3,2-c]chromen-5-one is sourced from PubChem (CID 15838082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).