5-hydroxy-2,2,8-trimethyl-10-(3-methylbut-2-enoyl)pyrano[3,2-g]chromen-6-one

C20H20O5 — CID 162857788

IUPAC5-hydroxy-2,2,8-trimethyl-10-(3-methylbut-2-enoyl)pyrano[3,2-g]chromen-6-one
SMILESCC(C)=CC(=O)c1c2c(c(O)c3c(=O)cc(C)oc13)C=CC(C)(C)O2
InChIInChI=1S/C20H20O5/c1-10(2)8-13(21)16-18-12(6-7-20(4,5)25-18)17(23)15-14(22)9-11(3)24-19(15)16/h6-9,23H,1-5H3
InChIKeyLYFQNGBFOUFZOD-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.14
Rot. Bonds2

About 5-hydroxy-2,2,8-trimethyl-10-(3-methylbut-2-enoyl)pyrano[3,2-g]chromen-6-one

5-hydroxy-2,2,8-trimethyl-10-(3-methylbut-2-enoyl)pyrano[3,2-g]chromen-6-one (PubChem CID 162857788) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is 5-hydroxy-2,2,8-trimethyl-10-(3-methylbut-2-enoyl)pyrano[3,2-g]chromen-6-one.

Molecular Properties

Compound Name5-hydroxy-2,2,8-trimethyl-10-(3-methylbut-2-enoyl)pyrano[3,2-g]chromen-6-one
PubChem CID162857788
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Name5-hydroxy-2,2,8-trimethyl-10-(3-methylbut-2-enoyl)pyrano[3,2-g]chromen-6-one
SMILESCC(C)=CC(=O)c1c2c(c(O)c3c(=O)cc(C)oc13)C=CC(C)(C)O2
InChIInChI=1S/C20H20O5/c1-10(2)8-13(21)16-18-12(6-7-20(4,5)25-18)17(23)15-14(22)9-11(3)24-19(15)16/h6-9,23H,1-5H3
InChIKeyLYFQNGBFOUFZOD-UHFFFAOYSA-N
XLogP4.14
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,2,8-trimethyl-10-(3-methylbut-2-enoyl)pyrano[3,2-g]chromen-6-one?
The IUPAC name of 5-hydroxy-2,2,8-trimethyl-10-(3-methylbut-2-enoyl)pyrano[3,2-g]chromen-6-one (CID 162857788) is 5-hydroxy-2,2,8-trimethyl-10-(3-methylbut-2-enoyl)pyrano[3,2-g]chromen-6-one.
What is the SMILES notation for 5-hydroxy-2,2,8-trimethyl-10-(3-methylbut-2-enoyl)pyrano[3,2-g]chromen-6-one?
The canonical SMILES for 5-hydroxy-2,2,8-trimethyl-10-(3-methylbut-2-enoyl)pyrano[3,2-g]chromen-6-one is CC(C)=CC(=O)c1c2c(c(O)c3c(=O)cc(C)oc13)C=CC(C)(C)O2.
What is the InChIKey of 5-hydroxy-2,2,8-trimethyl-10-(3-methylbut-2-enoyl)pyrano[3,2-g]chromen-6-one?
The InChIKey is LYFQNGBFOUFZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O5/c1-10(2)8-13(21)16-18-12(6-7-20(4,5)25-18)17(23)15-14(22)9-11(3)24-19(15)16/h6-9,23H,1-5H3.
What are the key properties of 5-hydroxy-2,2,8-trimethyl-10-(3-methylbut-2-enoyl)pyrano[3,2-g]chromen-6-one?
5-hydroxy-2,2,8-trimethyl-10-(3-methylbut-2-enoyl)pyrano[3,2-g]chromen-6-one has a molecular weight of 340.38 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,2,8-trimethyl-10-(3-methylbut-2-enoyl)pyrano[3,2-g]chromen-6-one is sourced from PubChem (CID 162857788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).