7-(4-methoxyphenyl)-2,2-dimethylpyrano[4,3-b]pyran-5-one

C17H16O4 — CID 11087308

IUPAC7-(4-methoxyphenyl)-2,2-dimethylpyrano[4,3-b]pyran-5-one
SMILESCOc1ccc(-c2cc3c(c(=O)o2)C=CC(C)(C)O3)cc1
InChIInChI=1S/C17H16O4/c1-17(2)9-8-13-15(21-17)10-14(20-16(13)18)11-4-6-12(19-3)7-5-11/h4-10H,1-3H3
InChIKeyTZTJEUZYPBTKTD-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.50
Rot. Bonds2

About 7-(4-methoxyphenyl)-2,2-dimethylpyrano[4,3-b]pyran-5-one

7-(4-methoxyphenyl)-2,2-dimethylpyrano[4,3-b]pyran-5-one (PubChem CID 11087308) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-2,2-dimethylpyrano[4,3-b]pyran-5-one.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-2,2-dimethylpyrano[4,3-b]pyran-5-one
PubChem CID11087308
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name7-(4-methoxyphenyl)-2,2-dimethylpyrano[4,3-b]pyran-5-one
SMILESCOc1ccc(-c2cc3c(c(=O)o2)C=CC(C)(C)O3)cc1
InChIInChI=1S/C17H16O4/c1-17(2)9-8-13-15(21-17)10-14(20-16(13)18)11-4-6-12(19-3)7-5-11/h4-10H,1-3H3
InChIKeyTZTJEUZYPBTKTD-UHFFFAOYSA-N
XLogP3.50
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dihydroxy-2-(4-methoxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one
CID 102440104
7-hydroxy-5-methoxy-8-(4-methoxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one
CID 163039126
5-(4-methoxyphenyl)-2,2-dimethyl-10-propan-2-ylpyrano[2,3-f]chromen-8-one
CID 172877104
3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]pyrano[4,3-c]pyran-1,5-dione
CID 71242608
4-methoxy-6-(4-methoxyphenyl)pyran-2-one
CID 13237931
(1S,2S,7S,10S)-1,7-dihydroxy-14-(4-methoxyphenyl)-2,6,6,10-tetramethyl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-diene-5,16-dione
CID 163051764
1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)ethanone
CID 66573258
[3-acetyloxy-4-(4-methoxy-7,7-dimethylfuro[3,2-g]chromen-2-yl)phenyl] acetate
CID 163028461
4,9,14-tris(4-methoxyphenyl)-3,8,13-trioxatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
CID 102345821
7-methoxy-2,2-dimethyl-5-(2-phenylethyl)chromene
CID 14805899
8-methoxy-2,2-dimethylbenzo[g]chromene-5,10-dione
CID 24824608
methyl 7-hydroxy-5-methoxy-2,2-dimethylchromene-6-carboxylate
CID 166070185

Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-2,2-dimethylpyrano[4,3-b]pyran-5-one?
The IUPAC name of 7-(4-methoxyphenyl)-2,2-dimethylpyrano[4,3-b]pyran-5-one (CID 11087308) is 7-(4-methoxyphenyl)-2,2-dimethylpyrano[4,3-b]pyran-5-one.
What is the SMILES notation for 7-(4-methoxyphenyl)-2,2-dimethylpyrano[4,3-b]pyran-5-one?
The canonical SMILES for 7-(4-methoxyphenyl)-2,2-dimethylpyrano[4,3-b]pyran-5-one is COc1ccc(-c2cc3c(c(=O)o2)C=CC(C)(C)O3)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-2,2-dimethylpyrano[4,3-b]pyran-5-one?
The InChIKey is TZTJEUZYPBTKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-17(2)9-8-13-15(21-17)10-14(20-16(13)18)11-4-6-12(19-3)7-5-11/h4-10H,1-3H3.
What are the key properties of 7-(4-methoxyphenyl)-2,2-dimethylpyrano[4,3-b]pyran-5-one?
7-(4-methoxyphenyl)-2,2-dimethylpyrano[4,3-b]pyran-5-one has a molecular weight of 284.31 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-2,2-dimethylpyrano[4,3-b]pyran-5-one is sourced from PubChem (CID 11087308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).