7-hydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one

C20H16O5 — CID 5317652

IUPAC7-hydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one
SMILESCC1(C)C=Cc2c(ccc(-c3coc4cc(O)ccc4c3=O)c2O)O1
InChIInChI=1S/C20H16O5/c1-20(2)8-7-14-16(25-20)6-5-12(18(14)22)15-10-24-17-9-11(21)3-4-13(17)19(15)23/h3-10,21-22H,1-2H3
InChIKeyCOLMVFWKLOZOOP-UHFFFAOYSA-N
MW336.34 g/mol
LogP4.06
Rot. Bonds1

About 7-hydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one

7-hydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one (PubChem CID 5317652) has the molecular formula C20H16O5 and a molecular weight of 336.34 g/mol. Its IUPAC name is 7-hydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one
PubChem CID5317652
Molecular FormulaC20H16O5
Molecular Weight336.34 g/mol
Exact Mass336.10
IUPAC Name7-hydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one
SMILESCC1(C)C=Cc2c(ccc(-c3coc4cc(O)ccc4c3=O)c2O)O1
InChIInChI=1S/C20H16O5/c1-20(2)8-7-14-16(25-20)6-5-12(18(14)22)15-10-24-17-9-11(21)3-4-13(17)19(15)23/h3-10,21-22H,1-2H3
InChIKeyCOLMVFWKLOZOOP-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

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one?
The IUPAC name of 7-hydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one (CID 5317652) is 7-hydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one.
What is the SMILES notation for 7-hydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one?
The canonical SMILES for 7-hydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one is CC1(C)C=Cc2c(ccc(-c3coc4cc(O)ccc4c3=O)c2O)O1.
What is the InChIKey of 7-hydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one?
The InChIKey is COLMVFWKLOZOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O5/c1-20(2)8-7-14-16(25-20)6-5-12(18(14)22)15-10-24-17-9-11(21)3-4-13(17)19(15)23/h3-10,21-22H,1-2H3.
What are the key properties of 7-hydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one?
7-hydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-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-hydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one is sourced from PubChem (CID 5317652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).