4-ethyl-4-methylpyrano[3,2-c]chromen-5-one

C15H14O3 — CID 102262126

IUPAC4-ethyl-4-methylpyrano[3,2-c]chromen-5-one
SMILESCCC1(C)C=COc2c1c(=O)oc1ccccc21
InChIInChI=1S/C15H14O3/c1-3-15(2)8-9-17-13-10-6-4-5-7-11(10)18-14(16)12(13)15/h4-9H,3H2,1-2H3
InChIKeyHFTVFKUJLYZNTP-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.37
Rot. Bonds1

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

4-ethyl-4-methylpyrano[3,2-c]chromen-5-one (PubChem CID 102262126) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 4-ethyl-4-methylpyrano[3,2-c]chromen-5-one.

Molecular Properties

Compound Name4-ethyl-4-methylpyrano[3,2-c]chromen-5-one
PubChem CID102262126
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name4-ethyl-4-methylpyrano[3,2-c]chromen-5-one
SMILESCCC1(C)C=COc2c1c(=O)oc1ccccc21
InChIInChI=1S/C15H14O3/c1-3-15(2)8-9-17-13-10-6-4-5-7-11(10)18-14(16)12(13)15/h4-9H,3H2,1-2H3
InChIKeyHFTVFKUJLYZNTP-UHFFFAOYSA-N
XLogP3.37
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
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'}

Analyze 4-ethyl-4-methylpyrano[3,2-c]chromen-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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-diethylchromen-2-one
CID 11680028
propane;xanthen-9-one
CID 90876458
2,2,4-trimethylpyrano[3,2-c]chromen-5-one
CID 13244741
3,4-diethoxychromen-2-one
CID 90255816
(2R)-2-methyl-2-trimethylsilyloxy-3,4-dihydropyrano[3,2-c]chromen-5-one
CID 139068634
2-methoxy-2,3-dihydrofuro[3,2-c]chromen-4-one
CID 141108522
9-butylbenzo[c]chromen-6-one
CID 102375140
8-fluoro-9-methylbenzo[c]chromen-6-one
CID 164685719
3-ethylsulfanyl-4-hydroxychromen-2-one
CID 86081050
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
5-methylspiro[1H-indole-3,13'-2,10,16-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,17,19,21-octaene]-2,11',15'-trione
CID 122374997

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methylpyrano[3,2-c]chromen-5-one?
The IUPAC name of 4-ethyl-4-methylpyrano[3,2-c]chromen-5-one (CID 102262126) is 4-ethyl-4-methylpyrano[3,2-c]chromen-5-one.
What is the SMILES notation for 4-ethyl-4-methylpyrano[3,2-c]chromen-5-one?
The canonical SMILES for 4-ethyl-4-methylpyrano[3,2-c]chromen-5-one is CCC1(C)C=COc2c1c(=O)oc1ccccc21.
What is the InChIKey of 4-ethyl-4-methylpyrano[3,2-c]chromen-5-one?
The InChIKey is HFTVFKUJLYZNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-3-15(2)8-9-17-13-10-6-4-5-7-11(10)18-14(16)12(13)15/h4-9H,3H2,1-2H3.
What are the key properties of 4-ethyl-4-methylpyrano[3,2-c]chromen-5-one?
4-ethyl-4-methylpyrano[3,2-c]chromen-5-one has a molecular weight of 242.27 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methylpyrano[3,2-c]chromen-5-one is sourced from PubChem (CID 102262126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).