3-(3,4-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxychromen-4-one

C20H18O6 — CID 102342417

IUPAC3-(3,4-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxychromen-4-one
SMILESCC1(C)Oc2ccc(-c3coc4cc(O)ccc4c3=O)cc2C(O)C1O
InChIInChI=1S/C20H18O6/c1-20(2)19(24)18(23)13-7-10(3-6-15(13)26-20)14-9-25-16-8-11(21)4-5-12(16)17(14)22/h3-9,18-19,21,23-24H,1-2H3
InChIKeyHRRWPOOLLFZIQU-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.73
Rot. Bonds1

About 3-(3,4-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxychromen-4-one

3-(3,4-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxychromen-4-one (PubChem CID 102342417) has the molecular formula C20H18O6 and a molecular weight of 354.36 g/mol. Its IUPAC name is 3-(3,4-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxychromen-4-one.

Molecular Properties

Compound Name3-(3,4-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxychromen-4-one
PubChem CID102342417
Molecular FormulaC20H18O6
Molecular Weight354.36 g/mol
Exact Mass354.11
IUPAC Name3-(3,4-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxychromen-4-one
SMILESCC1(C)Oc2ccc(-c3coc4cc(O)ccc4c3=O)cc2C(O)C1O
InChIInChI=1S/C20H18O6/c1-20(2)19(24)18(23)13-7-10(3-6-15(13)26-20)14-9-25-16-8-11(21)4-5-12(16)17(14)22/h3-9,18-19,21,23-24H,1-2H3
InChIKeyHRRWPOOLLFZIQU-UHFFFAOYSA-N
XLogP2.73
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxychromen-4-one?
The IUPAC name of 3-(3,4-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxychromen-4-one (CID 102342417) is 3-(3,4-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxychromen-4-one.
What is the SMILES notation for 3-(3,4-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxychromen-4-one?
The canonical SMILES for 3-(3,4-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxychromen-4-one is CC1(C)Oc2ccc(-c3coc4cc(O)ccc4c3=O)cc2C(O)C1O.
What is the InChIKey of 3-(3,4-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxychromen-4-one?
The InChIKey is HRRWPOOLLFZIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O6/c1-20(2)19(24)18(23)13-7-10(3-6-15(13)26-20)14-9-25-16-8-11(21)4-5-12(16)17(14)22/h3-9,18-19,21,23-24H,1-2H3.
What are the key properties of 3-(3,4-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxychromen-4-one?
3-(3,4-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxychromen-4-one has a molecular weight of 354.36 g/mol, XLogP of 2.73, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxychromen-4-one is sourced from PubChem (CID 102342417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).