8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)-2,3-dihydropyrano[2,3-f]chromen-4-one

C23H24O6 — CID 44559034

IUPAC8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)-2,3-dihydropyrano[2,3-f]chromen-4-one
SMILESCOc1cc(OC)c(C2COc3c(ccc4c3C=CC(C)(C)O4)C2=O)cc1OC
InChIInChI=1S/C23H24O6/c1-23(2)9-8-13-17(29-23)7-6-14-21(24)16(12-28-22(13)14)15-10-19(26-4)20(27-5)11-18(15)25-3/h6-11,16H,12H2,1-5H3
InChIKeyFHQIUPHJETXRLG-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.26
Rot. Bonds4

About 8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)-2,3-dihydropyrano[2,3-f]chromen-4-one

8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)-2,3-dihydropyrano[2,3-f]chromen-4-one (PubChem CID 44559034) has the molecular formula C23H24O6 and a molecular weight of 396.44 g/mol. Its IUPAC name is 8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)-2,3-dihydropyrano[2,3-f]chromen-4-one.

Molecular Properties

Compound Name8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)-2,3-dihydropyrano[2,3-f]chromen-4-one
PubChem CID44559034
Molecular FormulaC23H24O6
Molecular Weight396.44 g/mol
Exact Mass396.16
IUPAC Name8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)-2,3-dihydropyrano[2,3-f]chromen-4-one
SMILESCOc1cc(OC)c(C2COc3c(ccc4c3C=CC(C)(C)O4)C2=O)cc1OC
InChIInChI=1S/C23H24O6/c1-23(2)9-8-13-17(29-23)7-6-14-21(24)16(12-28-22(13)14)15-10-19(26-4)20(27-5)11-18(15)25-3/h6-11,16H,12H2,1-5H3
InChIKeyFHQIUPHJETXRLG-UHFFFAOYSA-N
XLogP4.26
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)-2,3-dihydropyrano[2,3-f]chromen-4-one?
The IUPAC name of 8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)-2,3-dihydropyrano[2,3-f]chromen-4-one (CID 44559034) is 8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)-2,3-dihydropyrano[2,3-f]chromen-4-one.
What is the SMILES notation for 8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)-2,3-dihydropyrano[2,3-f]chromen-4-one?
The canonical SMILES for 8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)-2,3-dihydropyrano[2,3-f]chromen-4-one is COc1cc(OC)c(C2COc3c(ccc4c3C=CC(C)(C)O4)C2=O)cc1OC.
What is the InChIKey of 8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)-2,3-dihydropyrano[2,3-f]chromen-4-one?
The InChIKey is FHQIUPHJETXRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O6/c1-23(2)9-8-13-17(29-23)7-6-14-21(24)16(12-28-22(13)14)15-10-19(26-4)20(27-5)11-18(15)25-3/h6-11,16H,12H2,1-5H3.
What are the key properties of 8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)-2,3-dihydropyrano[2,3-f]chromen-4-one?
8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)-2,3-dihydropyrano[2,3-f]chromen-4-one has a molecular weight of 396.44 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)-2,3-dihydropyrano[2,3-f]chromen-4-one is sourced from PubChem (CID 44559034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).