7-(3,4-dihydroxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one

C20H16O5 — CID 101405688

IUPAC7-(3,4-dihydroxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one
SMILESCC1(C)C=Cc2cc3c(=O)c(-c4ccc(O)c(O)c4)coc3cc2O1
InChIInChI=1S/C20H16O5/c1-20(2)6-5-12-7-13-18(9-17(12)25-20)24-10-14(19(13)23)11-3-4-15(21)16(22)8-11/h3-10,21-22H,1-2H3
InChIKeyVXWVOKWTGVKMOM-UHFFFAOYSA-N
MW336.34 g/mol
LogP4.06
Rot. Bonds1

About 7-(3,4-dihydroxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one

7-(3,4-dihydroxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one (PubChem CID 101405688) has the molecular formula C20H16O5 and a molecular weight of 336.34 g/mol. Its IUPAC name is 7-(3,4-dihydroxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one.

Molecular Properties

Compound Name7-(3,4-dihydroxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one
PubChem CID101405688
Molecular FormulaC20H16O5
Molecular Weight336.34 g/mol
Exact Mass336.10
IUPAC Name7-(3,4-dihydroxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one
SMILESCC1(C)C=Cc2cc3c(=O)c(-c4ccc(O)c(O)c4)coc3cc2O1
InChIInChI=1S/C20H16O5/c1-20(2)6-5-12-7-13-18(9-17(12)25-20)24-10-14(19(13)23)11-3-4-15(21)16(22)8-11/h3-10,21-22H,1-2H3
InChIKeyVXWVOKWTGVKMOM-UHFFFAOYSA-N
XLogP4.06
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

7-hydroxy-3-(8-methoxy-2,2-dimethylchromen-6-yl)chromen-4-one
CID 15139682
(3S)-3,5-dihydroxy-7-(7-hydroxy-2,2-dimethylchromen-6-yl)-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one
CID 162897017
5,7-dihydroxy-3-(8-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one
CID 5481948
3-(3,4-dimethoxyphenyl)-6,7-dihydroxychromen-4-one
CID 21270169
3-(3,4-dihydroxyphenyl)-5-hydroxy-7-methylchromen-4-one
CID 143775868
5-hydroxy-2,2-dimethyl-7-[4-(3-methylbut-2-enoxy)phenyl]pyrano[3,2-g]chromen-6-one
CID 5459223
3-(3,4-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxychromen-4-one
CID 102342417
6-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-7-methylchromen-4-one
CID 42604870
7-hydroxy-3-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)chromen-4-one
CID 5320772
3-hydroxy-7-(5-methoxy-2,2-dimethylchromen-6-yl)-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one
CID 4587968
3,7-bis(4-methylphenyl)pyrano[3,2-g]chromene-4,6-dione
CID 15320936
7-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5-hydroxy-2,2-dimethylpyrano[3,2-g]chromen-6-one
CID 14237658

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dihydroxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one?
The IUPAC name of 7-(3,4-dihydroxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one (CID 101405688) is 7-(3,4-dihydroxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one.
What is the SMILES notation for 7-(3,4-dihydroxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one?
The canonical SMILES for 7-(3,4-dihydroxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one is CC1(C)C=Cc2cc3c(=O)c(-c4ccc(O)c(O)c4)coc3cc2O1.
What is the InChIKey of 7-(3,4-dihydroxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one?
The InChIKey is VXWVOKWTGVKMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O5/c1-20(2)6-5-12-7-13-18(9-17(12)25-20)24-10-14(19(13)23)11-3-4-15(21)16(22)8-11/h3-10,21-22H,1-2H3.
What are the key properties of 7-(3,4-dihydroxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one?
7-(3,4-dihydroxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one has a molecular weight of 336.34 g/mol, XLogP of 4.06, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dihydroxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one is sourced from PubChem (CID 101405688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).