7-hydroxy-5-methoxy-8-(4-methoxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one

C22H20O6 — CID 163039126

IUPAC7-hydroxy-5-methoxy-8-(4-methoxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one
SMILESCOc1ccc(-c2oc3cc4c(c(OC)c3c(=O)c2O)C=CC(C)(C)O4)cc1
InChIInChI=1S/C22H20O6/c1-22(2)10-9-14-15(28-22)11-16-17(21(14)26-4)18(23)19(24)20(27-16)12-5-7-13(25-3)8-6-12/h5-11,24H,1-4H3
InChIKeyCGIIFBBHJHXVII-UHFFFAOYSA-N
MW380.40 g/mol
LogP4.37
Rot. Bonds3

About 7-hydroxy-5-methoxy-8-(4-methoxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one

7-hydroxy-5-methoxy-8-(4-methoxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one (PubChem CID 163039126) has the molecular formula C22H20O6 and a molecular weight of 380.40 g/mol. Its IUPAC name is 7-hydroxy-5-methoxy-8-(4-methoxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one.

Molecular Properties

Compound Name7-hydroxy-5-methoxy-8-(4-methoxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one
PubChem CID163039126
Molecular FormulaC22H20O6
Molecular Weight380.40 g/mol
Exact Mass380.13
IUPAC Name7-hydroxy-5-methoxy-8-(4-methoxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one
SMILESCOc1ccc(-c2oc3cc4c(c(OC)c3c(=O)c2O)C=CC(C)(C)O4)cc1
InChIInChI=1S/C22H20O6/c1-22(2)10-9-14-15(28-22)11-16-17(21(14)26-4)18(23)19(24)20(27-16)12-5-7-13(25-3)8-6-12/h5-11,24H,1-4H3
InChIKeyCGIIFBBHJHXVII-UHFFFAOYSA-N
XLogP4.37
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dihydroxy-2-(4-methoxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one
CID 102440104
7-(4-methoxyphenyl)-2,2-dimethylpyrano[4,3-b]pyran-5-one
CID 11087308
5-hydroxy-7,8,9,10-tetramethoxy-2,2-dimethylpyrano[3,2-b]xanthen-6-one
CID 155528646
3,6-dihydroxy-5,7,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one
CID 10643114
3-hydroxy-6-iodo-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
CID 171355593
3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one
CID 5317287
5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-[(1E)-3-methylbuta-1,3-dienyl]pyrano[3,2-b]xanthen-6-one
CID 171355157
22-hydroxy-10-methoxy-7,7,18,18-tetramethyl-8,13,17-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3,9,11,14,16(21),19-heptaen-2-one
CID 11143989
3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-iodo-6-methoxychromen-4-one
CID 167110086
5-(4-methoxyphenyl)-2,2-dimethyl-10-propan-2-ylpyrano[2,3-f]chromen-8-one
CID 172877104
1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)ethanone
CID 66573258
3,5-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-7-methoxychromen-4-one
CID 12532439

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-5-methoxy-8-(4-methoxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one?
The IUPAC name of 7-hydroxy-5-methoxy-8-(4-methoxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one (CID 163039126) is 7-hydroxy-5-methoxy-8-(4-methoxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one.
What is the SMILES notation for 7-hydroxy-5-methoxy-8-(4-methoxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one?
The canonical SMILES for 7-hydroxy-5-methoxy-8-(4-methoxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one is COc1ccc(-c2oc3cc4c(c(OC)c3c(=O)c2O)C=CC(C)(C)O4)cc1.
What is the InChIKey of 7-hydroxy-5-methoxy-8-(4-methoxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one?
The InChIKey is CGIIFBBHJHXVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O6/c1-22(2)10-9-14-15(28-22)11-16-17(21(14)26-4)18(23)19(24)20(27-16)12-5-7-13(25-3)8-6-12/h5-11,24H,1-4H3.
What are the key properties of 7-hydroxy-5-methoxy-8-(4-methoxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one?
7-hydroxy-5-methoxy-8-(4-methoxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one has a molecular weight of 380.40 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-5-methoxy-8-(4-methoxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one is sourced from PubChem (CID 163039126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).