2-(3,8-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-one

C20H20O6 — CID 75053719

IUPAC2-(3,8-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-one
SMILESCC1(C)Oc2c(O)cc(C3CC(=O)c4ccc(O)cc4O3)cc2CC1O
InChIInChI=1S/C20H20O6/c1-20(2)18(24)7-11-5-10(6-15(23)19(11)26-20)16-9-14(22)13-4-3-12(21)8-17(13)25-16/h3-6,8,16,18,21,23-24H,7,9H2,1-2H3
InChIKeyVQRCDZLYMBXGNJ-UHFFFAOYSA-N
MW356.37 g/mol
LogP2.88
Rot. Bonds1

About 2-(3,8-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-one

2-(3,8-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-one (PubChem CID 75053719) has the molecular formula C20H20O6 and a molecular weight of 356.37 g/mol. Its IUPAC name is 2-(3,8-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(3,8-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-one
PubChem CID75053719
Molecular FormulaC20H20O6
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name2-(3,8-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-one
SMILESCC1(C)Oc2c(O)cc(C3CC(=O)c4ccc(O)cc4O3)cc2CC1O
InChIInChI=1S/C20H20O6/c1-20(2)18(24)7-11-5-10(6-15(23)19(11)26-20)16-9-14(22)13-4-3-12(21)8-17(13)25-16/h3-6,8,16,18,21,23-24H,7,9H2,1-2H3
InChIKeyVQRCDZLYMBXGNJ-UHFFFAOYSA-N
XLogP2.88
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,8-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(3,8-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-one (CID 75053719) is 2-(3,8-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(3,8-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(3,8-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-one is CC1(C)Oc2c(O)cc(C3CC(=O)c4ccc(O)cc4O3)cc2CC1O.
What is the InChIKey of 2-(3,8-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-one?
The InChIKey is VQRCDZLYMBXGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O6/c1-20(2)18(24)7-11-5-10(6-15(23)19(11)26-20)16-9-14(22)13-4-3-12(21)8-17(13)25-16/h3-6,8,16,18,21,23-24H,7,9H2,1-2H3.
What are the key properties of 2-(3,8-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-one?
2-(3,8-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-one has a molecular weight of 356.37 g/mol, XLogP of 2.88, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,8-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 75053719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).