7-hydroxy-3-(8-methoxy-2,2-dimethylchromen-6-yl)chromen-4-one

C21H18O5 — CID 15139682

IUPAC7-hydroxy-3-(8-methoxy-2,2-dimethylchromen-6-yl)chromen-4-one
SMILESCOc1cc(-c2coc3cc(O)ccc3c2=O)cc2c1OC(C)(C)C=C2
InChIInChI=1S/C21H18O5/c1-21(2)7-6-12-8-13(9-18(24-3)20(12)26-21)16-11-25-17-10-14(22)4-5-15(17)19(16)23/h4-11,22H,1-3H3
InChIKeyOKVVENANSYGXCE-UHFFFAOYSA-N
MW350.37 g/mol
LogP4.36
Rot. Bonds2

About 7-hydroxy-3-(8-methoxy-2,2-dimethylchromen-6-yl)chromen-4-one

7-hydroxy-3-(8-methoxy-2,2-dimethylchromen-6-yl)chromen-4-one (PubChem CID 15139682) has the molecular formula C21H18O5 and a molecular weight of 350.37 g/mol. Its IUPAC name is 7-hydroxy-3-(8-methoxy-2,2-dimethylchromen-6-yl)chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-3-(8-methoxy-2,2-dimethylchromen-6-yl)chromen-4-one
PubChem CID15139682
Molecular FormulaC21H18O5
Molecular Weight350.37 g/mol
Exact Mass350.12
IUPAC Name7-hydroxy-3-(8-methoxy-2,2-dimethylchromen-6-yl)chromen-4-one
SMILESCOc1cc(-c2coc3cc(O)ccc3c2=O)cc2c1OC(C)(C)C=C2
InChIInChI=1S/C21H18O5/c1-21(2)7-6-12-8-13(9-18(24-3)20(12)26-21)16-11-25-17-10-14(22)4-5-15(17)19(16)23/h4-11,22H,1-3H3
InChIKeyOKVVENANSYGXCE-UHFFFAOYSA-N
XLogP4.36
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-dihydroxy-3-(8-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one
CID 5481948
7-(3,4-dihydroxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one
CID 101405688
3-(4-acetylphenyl)-7-hydroxychromen-4-one
CID 71506237
3-(4-ethoxyphenyl)-7-hydroxychromen-4-one
CID 71406499
7-hydroxy-3-[4-[2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)phenoxy]phenyl]chromen-4-one
CID 59021643
3-[2-[(3,3-dimethyloxiran-2-yl)methyl]-4,6-dihydroxy-3-methoxyphenyl]-7-hydroxychromen-4-one
CID 5379641
3-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one
CID 10804003
3-(3,4-dimethoxyphenyl)-6,7-dihydroxychromen-4-one
CID 21270169
3-(3-bromo-2,5-dimethoxyphenyl)-7-hydroxychromen-4-one
CID 69367923
3-(3,4-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxychromen-4-one
CID 102342417
6-(2-hydroxy-3-methylbut-3-enyl)-3-(4-hydroxyphenyl)-5-methoxy-8,8-dimethylpyrano[2,3-h]chromen-4-one
CID 46854087
4-(7-hydroxy-4-oxochromen-3-yl)benzoic acid
CID 67365953

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-(8-methoxy-2,2-dimethylchromen-6-yl)chromen-4-one?
The IUPAC name of 7-hydroxy-3-(8-methoxy-2,2-dimethylchromen-6-yl)chromen-4-one (CID 15139682) is 7-hydroxy-3-(8-methoxy-2,2-dimethylchromen-6-yl)chromen-4-one.
What is the SMILES notation for 7-hydroxy-3-(8-methoxy-2,2-dimethylchromen-6-yl)chromen-4-one?
The canonical SMILES for 7-hydroxy-3-(8-methoxy-2,2-dimethylchromen-6-yl)chromen-4-one is COc1cc(-c2coc3cc(O)ccc3c2=O)cc2c1OC(C)(C)C=C2.
What is the InChIKey of 7-hydroxy-3-(8-methoxy-2,2-dimethylchromen-6-yl)chromen-4-one?
The InChIKey is OKVVENANSYGXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O5/c1-21(2)7-6-12-8-13(9-18(24-3)20(12)26-21)16-11-25-17-10-14(22)4-5-15(17)19(16)23/h4-11,22H,1-3H3.
What are the key properties of 7-hydroxy-3-(8-methoxy-2,2-dimethylchromen-6-yl)chromen-4-one?
7-hydroxy-3-(8-methoxy-2,2-dimethylchromen-6-yl)chromen-4-one has a molecular weight of 350.37 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-(8-methoxy-2,2-dimethylchromen-6-yl)chromen-4-one is sourced from PubChem (CID 15139682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).