7-(1,3-benzodioxol-5-yl)-5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-6-one

C22H18O6 — CID 3473650

IUPAC7-(1,3-benzodioxol-5-yl)-5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-6-one
SMILESCOc1c2c(cc3occ(-c4ccc5c(c4)OCO5)c(=O)c13)OC(C)(C)C=C2
InChIInChI=1S/C22H18O6/c1-22(2)7-6-13-16(28-22)9-18-19(21(13)24-3)20(23)14(10-25-18)12-4-5-15-17(8-12)27-11-26-15/h4-10H,11H2,1-3H3
InChIKeyOKBNMQXBQLZQEM-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.38
Rot. Bonds2

About 7-(1,3-benzodioxol-5-yl)-5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-6-one

7-(1,3-benzodioxol-5-yl)-5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-6-one (PubChem CID 3473650) has the molecular formula C22H18O6 and a molecular weight of 378.38 g/mol. Its IUPAC name is 7-(1,3-benzodioxol-5-yl)-5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-6-one.

Molecular Properties

Compound Name7-(1,3-benzodioxol-5-yl)-5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-6-one
PubChem CID3473650
Molecular FormulaC22H18O6
Molecular Weight378.38 g/mol
Exact Mass378.11
IUPAC Name7-(1,3-benzodioxol-5-yl)-5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-6-one
SMILESCOc1c2c(cc3occ(-c4ccc5c(c4)OCO5)c(=O)c13)OC(C)(C)C=C2
InChIInChI=1S/C22H18O6/c1-22(2)7-6-13-16(28-22)9-18-19(21(13)24-3)20(23)14(10-25-18)12-4-5-15-17(8-12)27-11-26-15/h4-10H,11H2,1-3H3
InChIKeyOKBNMQXBQLZQEM-UHFFFAOYSA-N
XLogP4.38
TPSA67.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(1,3-benzodioxol-5-yl)-5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-6-one?
The IUPAC name of 7-(1,3-benzodioxol-5-yl)-5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-6-one (CID 3473650) is 7-(1,3-benzodioxol-5-yl)-5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-6-one.
What is the SMILES notation for 7-(1,3-benzodioxol-5-yl)-5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-6-one?
The canonical SMILES for 7-(1,3-benzodioxol-5-yl)-5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-6-one is COc1c2c(cc3occ(-c4ccc5c(c4)OCO5)c(=O)c13)OC(C)(C)C=C2.
What is the InChIKey of 7-(1,3-benzodioxol-5-yl)-5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-6-one?
The InChIKey is OKBNMQXBQLZQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O6/c1-22(2)7-6-13-16(28-22)9-18-19(21(13)24-3)20(23)14(10-25-18)12-4-5-15-17(8-12)27-11-26-15/h4-10H,11H2,1-3H3.
What are the key properties of 7-(1,3-benzodioxol-5-yl)-5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-6-one?
7-(1,3-benzodioxol-5-yl)-5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-6-one has a molecular weight of 378.38 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3-benzodioxol-5-yl)-5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-6-one is sourced from PubChem (CID 3473650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).