5-(6,7-dimethoxy-2,3-dimethylnaphthalen-1-yl)-1,3-benzodioxole

C21H20O4 — CID 71340713

IUPAC5-(6,7-dimethoxy-2,3-dimethylnaphthalen-1-yl)-1,3-benzodioxole
SMILESCOc1cc2cc(C)c(C)c(-c3ccc4c(c3)OCO4)c2cc1OC
InChIInChI=1S/C21H20O4/c1-12-7-15-9-18(22-3)19(23-4)10-16(15)21(13(12)2)14-5-6-17-20(8-14)25-11-24-17/h5-10H,11H2,1-4H3
InChIKeyPZXYEQWDASHMDR-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.87
Rot. Bonds3

About 5-(6,7-dimethoxy-2,3-dimethylnaphthalen-1-yl)-1,3-benzodioxole

5-(6,7-dimethoxy-2,3-dimethylnaphthalen-1-yl)-1,3-benzodioxole (PubChem CID 71340713) has the molecular formula C21H20O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is 5-(6,7-dimethoxy-2,3-dimethylnaphthalen-1-yl)-1,3-benzodioxole.

Molecular Properties

Compound Name5-(6,7-dimethoxy-2,3-dimethylnaphthalen-1-yl)-1,3-benzodioxole
PubChem CID71340713
Molecular FormulaC21H20O4
Molecular Weight336.39 g/mol
Exact Mass336.14
IUPAC Name5-(6,7-dimethoxy-2,3-dimethylnaphthalen-1-yl)-1,3-benzodioxole
SMILESCOc1cc2cc(C)c(C)c(-c3ccc4c(c3)OCO4)c2cc1OC
InChIInChI=1S/C21H20O4/c1-12-7-15-9-18(22-3)19(23-4)10-16(15)21(13(12)2)14-5-6-17-20(8-14)25-11-24-17/h5-10H,11H2,1-4H3
InChIKeyPZXYEQWDASHMDR-UHFFFAOYSA-N
XLogP4.87
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(6,7-dimethoxy-2,3-dimethylnaphthalen-1-yl)-1,3-benzodioxole?
The IUPAC name of 5-(6,7-dimethoxy-2,3-dimethylnaphthalen-1-yl)-1,3-benzodioxole (CID 71340713) is 5-(6,7-dimethoxy-2,3-dimethylnaphthalen-1-yl)-1,3-benzodioxole.
What is the SMILES notation for 5-(6,7-dimethoxy-2,3-dimethylnaphthalen-1-yl)-1,3-benzodioxole?
The canonical SMILES for 5-(6,7-dimethoxy-2,3-dimethylnaphthalen-1-yl)-1,3-benzodioxole is COc1cc2cc(C)c(C)c(-c3ccc4c(c3)OCO4)c2cc1OC.
What is the InChIKey of 5-(6,7-dimethoxy-2,3-dimethylnaphthalen-1-yl)-1,3-benzodioxole?
The InChIKey is PZXYEQWDASHMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O4/c1-12-7-15-9-18(22-3)19(23-4)10-16(15)21(13(12)2)14-5-6-17-20(8-14)25-11-24-17/h5-10H,11H2,1-4H3.
What are the key properties of 5-(6,7-dimethoxy-2,3-dimethylnaphthalen-1-yl)-1,3-benzodioxole?
5-(6,7-dimethoxy-2,3-dimethylnaphthalen-1-yl)-1,3-benzodioxole has a molecular weight of 336.39 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,7-dimethoxy-2,3-dimethylnaphthalen-1-yl)-1,3-benzodioxole is sourced from PubChem (CID 71340713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).