6-benzyl-5-(6,7-dimethoxy-1-methyl-1,2-dihydronaphthalen-2-yl)-4-ethenyl-1,3-benzodioxole

C29H28O4 — CID 90191273

IUPAC6-benzyl-5-(6,7-dimethoxy-1-methyl-1,2-dihydronaphthalen-2-yl)-4-ethenyl-1,3-benzodioxole
SMILESC=Cc1c2c(cc(Cc3ccccc3)c1C1C=Cc3cc(OC)c(OC)cc3C1C)OCO2
InChIInChI=1S/C29H28O4/c1-5-22-28(21(13-19-9-7-6-8-10-19)15-27-29(22)33-17-32-27)23-12-11-20-14-25(30-3)26(31-4)16-24(20)18(23)2/h5-12,14-16,18,23H,1,13,17H2,2-4H3
InChIKeyZCEWHECBTFILOW-UHFFFAOYSA-N
MW440.54 g/mol
LogP6.58
Rot. Bonds6

About 6-benzyl-5-(6,7-dimethoxy-1-methyl-1,2-dihydronaphthalen-2-yl)-4-ethenyl-1,3-benzodioxole

6-benzyl-5-(6,7-dimethoxy-1-methyl-1,2-dihydronaphthalen-2-yl)-4-ethenyl-1,3-benzodioxole (PubChem CID 90191273) has the molecular formula C29H28O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is 6-benzyl-5-(6,7-dimethoxy-1-methyl-1,2-dihydronaphthalen-2-yl)-4-ethenyl-1,3-benzodioxole.

Molecular Properties

Compound Name6-benzyl-5-(6,7-dimethoxy-1-methyl-1,2-dihydronaphthalen-2-yl)-4-ethenyl-1,3-benzodioxole
PubChem CID90191273
Molecular FormulaC29H28O4
Molecular Weight440.54 g/mol
Exact Mass440.20
IUPAC Name6-benzyl-5-(6,7-dimethoxy-1-methyl-1,2-dihydronaphthalen-2-yl)-4-ethenyl-1,3-benzodioxole
SMILESC=Cc1c2c(cc(Cc3ccccc3)c1C1C=Cc3cc(OC)c(OC)cc3C1C)OCO2
InChIInChI=1S/C29H28O4/c1-5-22-28(21(13-19-9-7-6-8-10-19)15-27-29(22)33-17-32-27)23-12-11-20-14-25(30-3)26(31-4)16-24(20)18(23)2/h5-12,14-16,18,23H,1,13,17H2,2-4H3
InChIKeyZCEWHECBTFILOW-UHFFFAOYSA-N
XLogP6.58
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-benzyl-5-(6,7-dimethoxy-1-methyl-1,2-dihydronaphthalen-2-yl)-4-ethenyl-1,3-benzodioxole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-5-(6,7-dimethoxy-1-methyl-1,2-dihydronaphthalen-2-yl)-4-ethenyl-1,3-benzodioxole?
The IUPAC name of 6-benzyl-5-(6,7-dimethoxy-1-methyl-1,2-dihydronaphthalen-2-yl)-4-ethenyl-1,3-benzodioxole (CID 90191273) is 6-benzyl-5-(6,7-dimethoxy-1-methyl-1,2-dihydronaphthalen-2-yl)-4-ethenyl-1,3-benzodioxole.
What is the SMILES notation for 6-benzyl-5-(6,7-dimethoxy-1-methyl-1,2-dihydronaphthalen-2-yl)-4-ethenyl-1,3-benzodioxole?
The canonical SMILES for 6-benzyl-5-(6,7-dimethoxy-1-methyl-1,2-dihydronaphthalen-2-yl)-4-ethenyl-1,3-benzodioxole is C=Cc1c2c(cc(Cc3ccccc3)c1C1C=Cc3cc(OC)c(OC)cc3C1C)OCO2.
What is the InChIKey of 6-benzyl-5-(6,7-dimethoxy-1-methyl-1,2-dihydronaphthalen-2-yl)-4-ethenyl-1,3-benzodioxole?
The InChIKey is ZCEWHECBTFILOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28O4/c1-5-22-28(21(13-19-9-7-6-8-10-19)15-27-29(22)33-17-32-27)23-12-11-20-14-25(30-3)26(31-4)16-24(20)18(23)2/h5-12,14-16,18,23H,1,13,17H2,2-4H3.
What are the key properties of 6-benzyl-5-(6,7-dimethoxy-1-methyl-1,2-dihydronaphthalen-2-yl)-4-ethenyl-1,3-benzodioxole?
6-benzyl-5-(6,7-dimethoxy-1-methyl-1,2-dihydronaphthalen-2-yl)-4-ethenyl-1,3-benzodioxole has a molecular weight of 440.54 g/mol, XLogP of 6.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-5-(6,7-dimethoxy-1-methyl-1,2-dihydronaphthalen-2-yl)-4-ethenyl-1,3-benzodioxole is sourced from PubChem (CID 90191273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).