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

C20H20O4 — CID 11616795

IUPAC2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-one
SMILESCC1(C)CCc2cc(C3CC(=O)c4ccc(O)cc4O3)ccc2O1
InChIInChI=1S/C20H20O4/c1-20(2)8-7-13-9-12(3-6-17(13)24-20)18-11-16(22)15-5-4-14(21)10-19(15)23-18/h3-6,9-10,18,21H,7-8,11H2,1-2H3
InChIKeyFKNXLBBBIDEZEI-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.20
Rot. Bonds1

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

2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-one (PubChem CID 11616795) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-one
PubChem CID11616795
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-one
SMILESCC1(C)CCc2cc(C3CC(=O)c4ccc(O)cc4O3)ccc2O1
InChIInChI=1S/C20H20O4/c1-20(2)8-7-13-9-12(3-6-17(13)24-20)18-11-16(22)15-5-4-14(21)10-19(15)23-18/h3-6,9-10,18,21H,7-8,11H2,1-2H3
InChIKeyFKNXLBBBIDEZEI-UHFFFAOYSA-N
XLogP4.20
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-one (CID 11616795) is 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-one is CC1(C)CCc2cc(C3CC(=O)c4ccc(O)cc4O3)ccc2O1.
What is the InChIKey of 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-one?
The InChIKey is FKNXLBBBIDEZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4/c1-20(2)8-7-13-9-12(3-6-17(13)24-20)18-11-16(22)15-5-4-14(21)10-19(15)23-18/h3-6,9-10,18,21H,7-8,11H2,1-2H3.
What are the key properties of 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-one?
2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-one has a molecular weight of 324.38 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 11616795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).