2,2-dimethyl-10-(2,4,5-trimethoxyphenyl)-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione

C23H24O7 — CID 91638157

IUPAC2,2-dimethyl-10-(2,4,5-trimethoxyphenyl)-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione
SMILESCOc1cc(OC)c(C2CC(=O)Oc3ccc4c(c32)OC(C)(C)CC4=O)cc1OC
InChIInChI=1S/C23H24O7/c1-23(2)11-15(24)12-6-7-16-21(22(12)30-23)14(9-20(25)29-16)13-8-18(27-4)19(28-5)10-17(13)26-3/h6-8,10,14H,9,11H2,1-5H3
InChIKeyCGSPGZNATUTXNE-UHFFFAOYSA-N
MW412.44 g/mol
LogP3.90
Rot. Bonds4

About 2,2-dimethyl-10-(2,4,5-trimethoxyphenyl)-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione

2,2-dimethyl-10-(2,4,5-trimethoxyphenyl)-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione (PubChem CID 91638157) has the molecular formula C23H24O7 and a molecular weight of 412.44 g/mol. Its IUPAC name is 2,2-dimethyl-10-(2,4,5-trimethoxyphenyl)-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione.

Molecular Properties

Compound Name2,2-dimethyl-10-(2,4,5-trimethoxyphenyl)-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione
PubChem CID91638157
Molecular FormulaC23H24O7
Molecular Weight412.44 g/mol
Exact Mass412.15
IUPAC Name2,2-dimethyl-10-(2,4,5-trimethoxyphenyl)-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione
SMILESCOc1cc(OC)c(C2CC(=O)Oc3ccc4c(c32)OC(C)(C)CC4=O)cc1OC
InChIInChI=1S/C23H24O7/c1-23(2)11-15(24)12-6-7-16-21(22(12)30-23)14(9-20(25)29-16)13-8-18(27-4)19(28-5)10-17(13)26-3/h6-8,10,14H,9,11H2,1-5H3
InChIKeyCGSPGZNATUTXNE-UHFFFAOYSA-N
XLogP3.90
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-10-(2,4,5-trimethoxyphenyl)-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione?
The IUPAC name of 2,2-dimethyl-10-(2,4,5-trimethoxyphenyl)-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione (CID 91638157) is 2,2-dimethyl-10-(2,4,5-trimethoxyphenyl)-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione.
What is the SMILES notation for 2,2-dimethyl-10-(2,4,5-trimethoxyphenyl)-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione?
The canonical SMILES for 2,2-dimethyl-10-(2,4,5-trimethoxyphenyl)-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione is COc1cc(OC)c(C2CC(=O)Oc3ccc4c(c32)OC(C)(C)CC4=O)cc1OC.
What is the InChIKey of 2,2-dimethyl-10-(2,4,5-trimethoxyphenyl)-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione?
The InChIKey is CGSPGZNATUTXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O7/c1-23(2)11-15(24)12-6-7-16-21(22(12)30-23)14(9-20(25)29-16)13-8-18(27-4)19(28-5)10-17(13)26-3/h6-8,10,14H,9,11H2,1-5H3.
What are the key properties of 2,2-dimethyl-10-(2,4,5-trimethoxyphenyl)-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione?
2,2-dimethyl-10-(2,4,5-trimethoxyphenyl)-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione has a molecular weight of 412.44 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-10-(2,4,5-trimethoxyphenyl)-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione is sourced from PubChem (CID 91638157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).