4,5-bis(4-methoxyphenyl)-7-propyl-1,3-benzodioxole

C24H24O4 — CID 57106396

IUPAC4,5-bis(4-methoxyphenyl)-7-propyl-1,3-benzodioxole
SMILESCCCc1cc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)c2c1OCO2
InChIInChI=1S/C24H24O4/c1-4-5-18-14-21(16-6-10-19(25-2)11-7-16)22(24-23(18)27-15-28-24)17-8-12-20(26-3)13-9-17/h6-14H,4-5,15H2,1-3H3
InChIKeyRCGNBGLWLQIKSG-UHFFFAOYSA-N
MW376.45 g/mol
LogP5.72
Rot. Bonds6

About 4,5-bis(4-methoxyphenyl)-7-propyl-1,3-benzodioxole

4,5-bis(4-methoxyphenyl)-7-propyl-1,3-benzodioxole (PubChem CID 57106396) has the molecular formula C24H24O4 and a molecular weight of 376.45 g/mol. Its IUPAC name is 4,5-bis(4-methoxyphenyl)-7-propyl-1,3-benzodioxole.

Molecular Properties

Compound Name4,5-bis(4-methoxyphenyl)-7-propyl-1,3-benzodioxole
PubChem CID57106396
Molecular FormulaC24H24O4
Molecular Weight376.45 g/mol
Exact Mass376.17
IUPAC Name4,5-bis(4-methoxyphenyl)-7-propyl-1,3-benzodioxole
SMILESCCCc1cc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)c2c1OCO2
InChIInChI=1S/C24H24O4/c1-4-5-18-14-21(16-6-10-19(25-2)11-7-16)22(24-23(18)27-15-28-24)17-8-12-20(26-3)13-9-17/h6-14H,4-5,15H2,1-3H3
InChIKeyRCGNBGLWLQIKSG-UHFFFAOYSA-N
XLogP5.72
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.45
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,5-bis(4-methoxyphenyl)-7-propyl-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

Related Compounds

2-[6,7-bis(4-methoxy-3-methylphenyl)-1,3-benzodioxol-4-yl]ethanol
CID 57197865
2-[2,3-dimethoxy-4,5-bis(4-methoxyphenyl)phenyl]ethanol
CID 173310640
4-methoxy-7-propyl-1,3-benzodioxole
CID 14601156
2-methoxy-3,4-bis(4-methylphenyl)-6-propylphenol
CID 57154102
7-chloro-1-(4-methoxyphenyl)-2-propylnaphthalene
CID 139260247
4-methoxy-9-(4-methoxyphenyl)benzo[g][1,3]benzodioxole
CID 51138512
1-butyl-6-(4-methoxyphenyl)-3,4-diphenylpyridin-2-one
CID 102087276
5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran
CID 10214897
7-methyl-4,5-diphenyl-1,3-benzodioxole
CID 57112603
1-ethyl-2,3-bis(4-methoxyphenyl)benzene
CID 54211857
ethyl 3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate
CID 137331756
ethane;methane;5-methoxy-2-(4-methoxyphenyl)-7-propyl-1-benzofuran
CID 142256355

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-methoxyphenyl)-7-propyl-1,3-benzodioxole?
The IUPAC name of 4,5-bis(4-methoxyphenyl)-7-propyl-1,3-benzodioxole (CID 57106396) is 4,5-bis(4-methoxyphenyl)-7-propyl-1,3-benzodioxole.
What is the SMILES notation for 4,5-bis(4-methoxyphenyl)-7-propyl-1,3-benzodioxole?
The canonical SMILES for 4,5-bis(4-methoxyphenyl)-7-propyl-1,3-benzodioxole is CCCc1cc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)c2c1OCO2.
What is the InChIKey of 4,5-bis(4-methoxyphenyl)-7-propyl-1,3-benzodioxole?
The InChIKey is RCGNBGLWLQIKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O4/c1-4-5-18-14-21(16-6-10-19(25-2)11-7-16)22(24-23(18)27-15-28-24)17-8-12-20(26-3)13-9-17/h6-14H,4-5,15H2,1-3H3.
What are the key properties of 4,5-bis(4-methoxyphenyl)-7-propyl-1,3-benzodioxole?
4,5-bis(4-methoxyphenyl)-7-propyl-1,3-benzodioxole has a molecular weight of 376.45 g/mol, XLogP of 5.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-methoxyphenyl)-7-propyl-1,3-benzodioxole is sourced from PubChem (CID 57106396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).