5,10,11-trimethoxy-2,2-dimethyl-3,4-dihydropyrano[2,3-a]xanthen-12-one

C21H22O6 — CID 163067078

IUPAC5,10,11-trimethoxy-2,2-dimethyl-3,4-dihydropyrano[2,3-a]xanthen-12-one
SMILESCOc1cc2oc3ccc(OC)c(OC)c3c(=O)c2c2c1CCC(C)(C)O2
InChIInChI=1S/C21H22O6/c1-21(2)9-8-11-14(24-4)10-15-17(19(11)27-21)18(22)16-12(26-15)6-7-13(23-3)20(16)25-5/h6-7,10H,8-9H2,1-5H3
InChIKeyISFJUEZGXAJAAE-UHFFFAOYSA-N
MW370.40 g/mol
LogP4.08
Rot. Bonds3

About 5,10,11-trimethoxy-2,2-dimethyl-3,4-dihydropyrano[2,3-a]xanthen-12-one

5,10,11-trimethoxy-2,2-dimethyl-3,4-dihydropyrano[2,3-a]xanthen-12-one (PubChem CID 163067078) has the molecular formula C21H22O6 and a molecular weight of 370.40 g/mol. Its IUPAC name is 5,10,11-trimethoxy-2,2-dimethyl-3,4-dihydropyrano[2,3-a]xanthen-12-one.

Molecular Properties

Compound Name5,10,11-trimethoxy-2,2-dimethyl-3,4-dihydropyrano[2,3-a]xanthen-12-one
PubChem CID163067078
Molecular FormulaC21H22O6
Molecular Weight370.40 g/mol
Exact Mass370.14
IUPAC Name5,10,11-trimethoxy-2,2-dimethyl-3,4-dihydropyrano[2,3-a]xanthen-12-one
SMILESCOc1cc2oc3ccc(OC)c(OC)c3c(=O)c2c2c1CCC(C)(C)O2
InChIInChI=1S/C21H22O6/c1-21(2)9-8-11-14(24-4)10-15-17(19(11)27-21)18(22)16-12(26-15)6-7-13(23-3)20(16)25-5/h6-7,10H,8-9H2,1-5H3
InChIKeyISFJUEZGXAJAAE-UHFFFAOYSA-N
XLogP4.08
TPSA67.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,10,11-trimethoxy-2,2-dimethyl-3,4-dihydropyrano[2,3-a]xanthen-12-one?
The IUPAC name of 5,10,11-trimethoxy-2,2-dimethyl-3,4-dihydropyrano[2,3-a]xanthen-12-one (CID 163067078) is 5,10,11-trimethoxy-2,2-dimethyl-3,4-dihydropyrano[2,3-a]xanthen-12-one.
What is the SMILES notation for 5,10,11-trimethoxy-2,2-dimethyl-3,4-dihydropyrano[2,3-a]xanthen-12-one?
The canonical SMILES for 5,10,11-trimethoxy-2,2-dimethyl-3,4-dihydropyrano[2,3-a]xanthen-12-one is COc1cc2oc3ccc(OC)c(OC)c3c(=O)c2c2c1CCC(C)(C)O2.
What is the InChIKey of 5,10,11-trimethoxy-2,2-dimethyl-3,4-dihydropyrano[2,3-a]xanthen-12-one?
The InChIKey is ISFJUEZGXAJAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O6/c1-21(2)9-8-11-14(24-4)10-15-17(19(11)27-21)18(22)16-12(26-15)6-7-13(23-3)20(16)25-5/h6-7,10H,8-9H2,1-5H3.
What are the key properties of 5,10,11-trimethoxy-2,2-dimethyl-3,4-dihydropyrano[2,3-a]xanthen-12-one?
5,10,11-trimethoxy-2,2-dimethyl-3,4-dihydropyrano[2,3-a]xanthen-12-one has a molecular weight of 370.40 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,11-trimethoxy-2,2-dimethyl-3,4-dihydropyrano[2,3-a]xanthen-12-one is sourced from PubChem (CID 163067078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).