8,8-dimethyl-4-propan-2-ylpyrano[2,3-f]chromen-2-one

C17H18O3 — CID 10825913

IUPAC8,8-dimethyl-4-propan-2-ylpyrano[2,3-f]chromen-2-one
SMILESCC(C)c1cc(=O)oc2c3c(ccc12)OC(C)(C)C=C3
InChIInChI=1S/C17H18O3/c1-10(2)13-9-15(18)19-16-11(13)5-6-14-12(16)7-8-17(3,4)20-14/h5-10H,1-4H3
InChIKeyCOIAAEHPAOFGPL-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.10
Rot. Bonds1

About 8,8-dimethyl-4-propan-2-ylpyrano[2,3-f]chromen-2-one

8,8-dimethyl-4-propan-2-ylpyrano[2,3-f]chromen-2-one (PubChem CID 10825913) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 8,8-dimethyl-4-propan-2-ylpyrano[2,3-f]chromen-2-one.

Molecular Properties

Compound Name8,8-dimethyl-4-propan-2-ylpyrano[2,3-f]chromen-2-one
PubChem CID10825913
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name8,8-dimethyl-4-propan-2-ylpyrano[2,3-f]chromen-2-one
SMILESCC(C)c1cc(=O)oc2c3c(ccc12)OC(C)(C)C=C3
InChIInChI=1S/C17H18O3/c1-10(2)13-9-15(18)19-16-11(13)5-6-14-12(16)7-8-17(3,4)20-14/h5-10H,1-4H3
InChIKeyCOIAAEHPAOFGPL-UHFFFAOYSA-N
XLogP4.10
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.10
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-ethyl-8,8-dimethylpyrano[2,3-f]chromen-4-one
CID 11357304
7-hydroxy-8-methyl-4-propan-2-ylchromen-2-one
CID 76852877
(16S,17S)-10,10,16,17-tetramethyl-6-propan-2-yl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaene-4,18-dione
CID 511352
17,18-dimethoxy-7,7-dimethyl-2,8,22-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4(9),5,10,15,17,19-octaen-13-one
CID 89257140
7-methyl-4-propan-2-ylchromen-2-one
CID 89182688
(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
(16R,17S,18S)-18-hydroxy-10,10,16,17-tetramethyl-6-propan-2-yl-3,9-dioxatetracyclo[12.4.0.02,7.08,13]octadeca-1,5,7,11,13-pentaen-4-one
CID 511351
[(9R,10R)-8,8-dimethyl-2-oxo-4-propan-2-yl-9-[(1S,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl]oxy-9,10-dihydropyrano[2,3-f]chromen-10-yl] (1S,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
CID 100980477
2,2,8,8-tetramethylpyrano[3,2-g]chromen-5-ol
CID 86035847
7-amino-4-propan-2-ylchromen-2-one
CID 134375353
5-(4-methoxyphenyl)-2,2-dimethyl-10-propan-2-ylpyrano[2,3-f]chromen-8-one
CID 172877104

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-4-propan-2-ylpyrano[2,3-f]chromen-2-one?
The IUPAC name of 8,8-dimethyl-4-propan-2-ylpyrano[2,3-f]chromen-2-one (CID 10825913) is 8,8-dimethyl-4-propan-2-ylpyrano[2,3-f]chromen-2-one.
What is the SMILES notation for 8,8-dimethyl-4-propan-2-ylpyrano[2,3-f]chromen-2-one?
The canonical SMILES for 8,8-dimethyl-4-propan-2-ylpyrano[2,3-f]chromen-2-one is CC(C)c1cc(=O)oc2c3c(ccc12)OC(C)(C)C=C3.
What is the InChIKey of 8,8-dimethyl-4-propan-2-ylpyrano[2,3-f]chromen-2-one?
The InChIKey is COIAAEHPAOFGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-10(2)13-9-15(18)19-16-11(13)5-6-14-12(16)7-8-17(3,4)20-14/h5-10H,1-4H3.
What are the key properties of 8,8-dimethyl-4-propan-2-ylpyrano[2,3-f]chromen-2-one?
8,8-dimethyl-4-propan-2-ylpyrano[2,3-f]chromen-2-one has a molecular weight of 270.33 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-4-propan-2-ylpyrano[2,3-f]chromen-2-one is sourced from PubChem (CID 10825913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).