2,2,4-trimethylpyrano[3,2-c]chromen-5-one

C15H14O3 — CID 13244741

IUPAC2,2,4-trimethylpyrano[3,2-c]chromen-5-one
SMILESCC1=CC(C)(C)Oc2c1c(=O)oc1ccccc21
InChIInChI=1S/C15H14O3/c1-9-8-15(2,3)18-13-10-6-4-5-7-11(10)17-14(16)12(9)13/h4-8H,1-3H3
InChIKeyVWECSCQVQXTNKO-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.37
Rot. Bonds

About 2,2,4-trimethylpyrano[3,2-c]chromen-5-one

2,2,4-trimethylpyrano[3,2-c]chromen-5-one (PubChem CID 13244741) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2,2,4-trimethylpyrano[3,2-c]chromen-5-one.

Molecular Properties

Compound Name2,2,4-trimethylpyrano[3,2-c]chromen-5-one
PubChem CID13244741
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name2,2,4-trimethylpyrano[3,2-c]chromen-5-one
SMILESCC1=CC(C)(C)Oc2c1c(=O)oc1ccccc21
InChIInChI=1S/C15H14O3/c1-9-8-15(2,3)18-13-10-6-4-5-7-11(10)17-14(16)12(9)13/h4-8H,1-3H3
InChIKeyVWECSCQVQXTNKO-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
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

4-methyl-2-trityloxaphosphinino[5,6-c]chromen-5-one
CID 122192421
(11R,15R)-11,15-dimethyl-8,14,16-trioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6-tetraene-9,13-dione
CID 11022018
3,4-dimethylpyrano[3,2-c]chromene-2,5-dione
CID 23605341
2,2,5-trimethylbenzo[h]chromene-4,6-diol
CID 139774652
4-hydroxy-3-methylchromen-2-one
CID 54687016
(2R)-2-methyl-2-trimethylsilyloxy-3,4-dihydropyrano[3,2-c]chromen-5-one
CID 139068634
2,2-diphenyl-3H-furo[3,2-c]chromen-4-one
CID 86000557
4-(dimethylamino)-3-methylchromen-2-one
CID 87273287
4-ethyl-4-methylpyrano[3,2-c]chromen-5-one
CID 102262126
8-fluoro-9-methylbenzo[c]chromen-6-one
CID 164685719
4-(dimethylamino)-3-phenylchromen-2-one
CID 141378556
8,17-dioxaheptacyclo[22.6.6.02,7.010,15.018,23.025,30.031,36]hexatriaconta-1(31),2,4,6,10,12,14,18,20,22,24(36),25,27,29,32,34-hexadecaene-9,16-dione
CID 59760668

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethylpyrano[3,2-c]chromen-5-one?
The IUPAC name of 2,2,4-trimethylpyrano[3,2-c]chromen-5-one (CID 13244741) is 2,2,4-trimethylpyrano[3,2-c]chromen-5-one.
What is the SMILES notation for 2,2,4-trimethylpyrano[3,2-c]chromen-5-one?
The canonical SMILES for 2,2,4-trimethylpyrano[3,2-c]chromen-5-one is CC1=CC(C)(C)Oc2c1c(=O)oc1ccccc21.
What is the InChIKey of 2,2,4-trimethylpyrano[3,2-c]chromen-5-one?
The InChIKey is VWECSCQVQXTNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-9-8-15(2,3)18-13-10-6-4-5-7-11(10)17-14(16)12(9)13/h4-8H,1-3H3.
What are the key properties of 2,2,4-trimethylpyrano[3,2-c]chromen-5-one?
2,2,4-trimethylpyrano[3,2-c]chromen-5-one has a molecular weight of 242.27 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethylpyrano[3,2-c]chromen-5-one is sourced from PubChem (CID 13244741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).