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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Related Compounds

2,2,5,6-tetramethylbenzo[h]chromene
CID 21339666
2,2-dimethyl-5,6,7,8-tetrahydrophenanthro[9,10-b]pyran
CID 21339668
(4S)-4,5,5,9,9-pentamethyl-3,8,14-trioxatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),7(12),10,16-pentaen-15-one
CID 163193433
4,5,5,9,9-pentamethyl-3,8,14-trioxatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),7(12),10,16-pentaen-15-one
CID 15108310
3-bromo-7-methyl-3,4-dihydro-2H-pyrano[3,2-c]chromen-5-one
CID 16752538
ethane;4,4,18,21,21-pentamethyl-3-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),5,8,10,12,15(20),16,18-nonaene;5,5,18,21,21-pentamethyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaene
CID 160710445
6,6-dimethyl-7-oxapentacyclo[14.2.1.02,15.03,8.09,14]nonadeca-2(15),3(8),4,9,11,13-hexaene
CID 22970322
4-hydroxy-8-methyl-2-oxochromene-3-carbonitrile;hydrate
CID 159853913
3,3-dimethyl-8-nitro-[1]benzofuro[3,2-f]chromene
CID 69398684
4-methyl-6H-cyclohepta[b][1]benzofuran
CID 144724082
3-[(dibutylamino)methyl]-4,8-dimethylchromen-2-one
CID 14090534
4-hydroxy-8-methylchromen-2-one
CID 54676122

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).