5-[3-[2-(2,4-dimethoxyphenyl)phenyl]-2-methylprop-2-enyl]-1,3-benzodioxole

C25H24O4 — CID 57315688

IUPAC5-[3-[2-(2,4-dimethoxyphenyl)phenyl]-2-methylprop-2-enyl]-1,3-benzodioxole
SMILESCOc1ccc(-c2ccccc2C=C(C)Cc2ccc3c(c2)OCO3)c(OC)c1
InChIInChI=1S/C25H24O4/c1-17(12-18-8-11-23-25(14-18)29-16-28-23)13-19-6-4-5-7-21(19)22-10-9-20(26-2)15-24(22)27-3/h4-11,13-15H,12,16H2,1-3H3
InChIKeyUTJDLGHDQVUFFP-UHFFFAOYSA-N
MW388.46 g/mol
LogP5.75
Rot. Bonds6

About 5-[3-[2-(2,4-dimethoxyphenyl)phenyl]-2-methylprop-2-enyl]-1,3-benzodioxole

5-[3-[2-(2,4-dimethoxyphenyl)phenyl]-2-methylprop-2-enyl]-1,3-benzodioxole (PubChem CID 57315688) has the molecular formula C25H24O4 and a molecular weight of 388.46 g/mol. Its IUPAC name is 5-[3-[2-(2,4-dimethoxyphenyl)phenyl]-2-methylprop-2-enyl]-1,3-benzodioxole.

Molecular Properties

Compound Name5-[3-[2-(2,4-dimethoxyphenyl)phenyl]-2-methylprop-2-enyl]-1,3-benzodioxole
PubChem CID57315688
Molecular FormulaC25H24O4
Molecular Weight388.46 g/mol
Exact Mass388.17
IUPAC Name5-[3-[2-(2,4-dimethoxyphenyl)phenyl]-2-methylprop-2-enyl]-1,3-benzodioxole
SMILESCOc1ccc(-c2ccccc2C=C(C)Cc2ccc3c(c2)OCO3)c(OC)c1
InChIInChI=1S/C25H24O4/c1-17(12-18-8-11-23-25(14-18)29-16-28-23)13-19-6-4-5-7-21(19)22-10-9-20(26-2)15-24(22)27-3/h4-11,13-15H,12,16H2,1-3H3
InChIKeyUTJDLGHDQVUFFP-UHFFFAOYSA-N
XLogP5.75
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.46
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[3-[2-(2,4-dimethoxyphenyl)phenyl]-2-methylprop-2-enyl]-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

1-(1,3-benzodioxol-5-yl)-3-(2,4,6-trimethoxyphenyl)propan-2-one
CID 46830515
3-[2-[2-[[2-(hydroxymethyl)phenyl]methoxy]-4-methoxyphenyl]phenyl]-2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]prop-2-enoic acid
CID 54032441
5-[2-[4-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]-1,3-benzodioxole
CID 172870909
(E)-2-(1,3-benzodioxol-5-ylmethyl)-3-[2-[2-(carboxymethoxy)-4-methoxyphenyl]-3-propoxyphenyl]prop-2-enoic acid
CID 20638129
3-(1,3-benzodioxol-5-yl)-2-(2,4-dimethoxyphenyl)propanoic acid
CID 82140683
1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-methoxyphenyl)methyl]thiourea
CID 3589166
2-(1,3-benzodioxol-5-ylmethoxy)-4-methoxybenzamide
CID 18166105
1-(1,3-benzodioxol-5-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine
CID 30609570
(E)-1-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)but-3-en-2-one
CID 59296766
1-[1,3-benzodioxol-5-ylmethyl-[(6-methoxynaphthalen-2-yl)methyl]amino]propan-2-ol
CID 46962137
1-(1,3-benzodioxol-5-yl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine
CID 775446
[4-(1,3-benzodioxol-5-yl)-2-deuterio-3-methylbut-2-enyl] 2-aminobenzoate
CID 175924370

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(2,4-dimethoxyphenyl)phenyl]-2-methylprop-2-enyl]-1,3-benzodioxole?
The IUPAC name of 5-[3-[2-(2,4-dimethoxyphenyl)phenyl]-2-methylprop-2-enyl]-1,3-benzodioxole (CID 57315688) is 5-[3-[2-(2,4-dimethoxyphenyl)phenyl]-2-methylprop-2-enyl]-1,3-benzodioxole.
What is the SMILES notation for 5-[3-[2-(2,4-dimethoxyphenyl)phenyl]-2-methylprop-2-enyl]-1,3-benzodioxole?
The canonical SMILES for 5-[3-[2-(2,4-dimethoxyphenyl)phenyl]-2-methylprop-2-enyl]-1,3-benzodioxole is COc1ccc(-c2ccccc2C=C(C)Cc2ccc3c(c2)OCO3)c(OC)c1.
What is the InChIKey of 5-[3-[2-(2,4-dimethoxyphenyl)phenyl]-2-methylprop-2-enyl]-1,3-benzodioxole?
The InChIKey is UTJDLGHDQVUFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O4/c1-17(12-18-8-11-23-25(14-18)29-16-28-23)13-19-6-4-5-7-21(19)22-10-9-20(26-2)15-24(22)27-3/h4-11,13-15H,12,16H2,1-3H3.
What are the key properties of 5-[3-[2-(2,4-dimethoxyphenyl)phenyl]-2-methylprop-2-enyl]-1,3-benzodioxole?
5-[3-[2-(2,4-dimethoxyphenyl)phenyl]-2-methylprop-2-enyl]-1,3-benzodioxole has a molecular weight of 388.46 g/mol, XLogP of 5.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(2,4-dimethoxyphenyl)phenyl]-2-methylprop-2-enyl]-1,3-benzodioxole is sourced from PubChem (CID 57315688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).