2,2-dimethyl-8-phenyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one

C20H20O3 — CID 10957812

IUPAC2,2-dimethyl-8-phenyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one
SMILESCC1(C)CCc2cc3c(cc2O1)OC(c1ccccc1)CC3=O
InChIInChI=1S/C20H20O3/c1-20(2)9-8-14-10-15-16(21)11-17(13-6-4-3-5-7-13)22-19(15)12-18(14)23-20/h3-7,10,12,17H,8-9,11H2,1-2H3
InChIKeyYGPZTQYFGOLOAB-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.50
Rot. Bonds1

About 2,2-dimethyl-8-phenyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one

2,2-dimethyl-8-phenyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one (PubChem CID 10957812) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2,2-dimethyl-8-phenyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one.

Molecular Properties

Compound Name2,2-dimethyl-8-phenyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one
PubChem CID10957812
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name2,2-dimethyl-8-phenyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one
SMILESCC1(C)CCc2cc3c(cc2O1)OC(c1ccccc1)CC3=O
InChIInChI=1S/C20H20O3/c1-20(2)9-8-14-10-15-16(21)11-17(13-6-4-3-5-7-13)22-19(15)12-18(14)23-20/h3-7,10,12,17H,8-9,11H2,1-2H3
InChIKeyYGPZTQYFGOLOAB-UHFFFAOYSA-N
XLogP4.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(8S)-8-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2,2-dimethyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one
CID 163016280
2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-one
CID 11616795
6-bromo-7-methyl-2-phenyl-2,3-dihydrochromen-4-one
CID 3676100
ethane;2-phenyl-2,3-dihydrochromen-4-one
CID 91018475
7-(dimethylamino)-2-phenyl-2,3-dihydrochromen-4-one
CID 13393781
(2S)-6-bromo-2-phenyl-2,3-dihydrochromen-4-one
CID 71059551
6-chloro-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 12073467
N-(4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)acetamide
CID 19837990
2-(4-hydroxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one
CID 71601900
4-oxo-2-phenyl-2,3-dihydrochromene-6-carboxylic acid
CID 5270553
3-methyl-7-phenyl-6,7-dihydrofuro[3,2-g]chromen-5-one
CID 25148235
5-phenyloxolane-2,3-dione
CID 14450727

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-8-phenyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one?
The IUPAC name of 2,2-dimethyl-8-phenyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one (CID 10957812) is 2,2-dimethyl-8-phenyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one.
What is the SMILES notation for 2,2-dimethyl-8-phenyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one?
The canonical SMILES for 2,2-dimethyl-8-phenyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one is CC1(C)CCc2cc3c(cc2O1)OC(c1ccccc1)CC3=O.
What is the InChIKey of 2,2-dimethyl-8-phenyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one?
The InChIKey is YGPZTQYFGOLOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c1-20(2)9-8-14-10-15-16(21)11-17(13-6-4-3-5-7-13)22-19(15)12-18(14)23-20/h3-7,10,12,17H,8-9,11H2,1-2H3.
What are the key properties of 2,2-dimethyl-8-phenyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one?
2,2-dimethyl-8-phenyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one has a molecular weight of 308.38 g/mol, XLogP of 4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-8-phenyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one is sourced from PubChem (CID 10957812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).