2,4-dibromo-1,5-dimethoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene

C17H16Br2O3 — CID 59502123

IUPAC2,4-dibromo-1,5-dimethoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
SMILESCOc1ccc(/C=C/c2c(Br)c(OC)cc(OC)c2Br)cc1
InChIInChI=1S/C17H16Br2O3/c1-20-12-7-4-11(5-8-12)6-9-13-16(18)14(21-2)10-15(22-3)17(13)19/h4-10H,1-3H3/b9-6+
InChIKeyUBPZDQRPAWXGEI-RMKNXTFCSA-N
MW428.12 g/mol
LogP5.41
Rot. Bonds5

About 2,4-dibromo-1,5-dimethoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene

2,4-dibromo-1,5-dimethoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene (PubChem CID 59502123) has the molecular formula C17H16Br2O3 and a molecular weight of 428.12 g/mol. Its IUPAC name is 2,4-dibromo-1,5-dimethoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene.

Molecular Properties

Compound Name2,4-dibromo-1,5-dimethoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
PubChem CID59502123
Molecular FormulaC17H16Br2O3
Molecular Weight428.12 g/mol
Exact Mass425.95
IUPAC Name2,4-dibromo-1,5-dimethoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
SMILESCOc1ccc(/C=C/c2c(Br)c(OC)cc(OC)c2Br)cc1
InChIInChI=1S/C17H16Br2O3/c1-20-12-7-4-11(5-8-12)6-9-13-16(18)14(21-2)10-15(22-3)17(13)19/h4-10H,1-3H3/b9-6+
InChIKeyUBPZDQRPAWXGEI-RMKNXTFCSA-N
XLogP5.41
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.12
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 2,4-dibromo-1,5-dimethoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene 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-bromo-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene
CID 68729529
2-bromo-1-methoxy-4-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene
CID 92898574
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1,2,3,4,5-pentabromo-6-[2-[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]ethenyl]benzene
CID 141245082
4,6-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methylbenzaldehyde
CID 139087650
1,3-dichloro-5-methoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 125465485
2-[2-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene
CID 69464209
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
4-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2-dimethylbenzene
CID 10999067
[3-[(3,5-dimethoxyphenyl)-hydroxymethyl]-4,6-dimethoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-(3-methoxy-5-methylphenyl)methanol
CID 89026769
1-[(Z)-2-bromoethenyl]-4-methoxybenzene
CID 6166616

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1,5-dimethoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
The IUPAC name of 2,4-dibromo-1,5-dimethoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene (CID 59502123) is 2,4-dibromo-1,5-dimethoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene.
What is the SMILES notation for 2,4-dibromo-1,5-dimethoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
The canonical SMILES for 2,4-dibromo-1,5-dimethoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene is COc1ccc(/C=C/c2c(Br)c(OC)cc(OC)c2Br)cc1.
What is the InChIKey of 2,4-dibromo-1,5-dimethoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
The InChIKey is UBPZDQRPAWXGEI-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H16Br2O3/c1-20-12-7-4-11(5-8-12)6-9-13-16(18)14(21-2)10-15(22-3)17(13)19/h4-10H,1-3H3/b9-6+.
What are the key properties of 2,4-dibromo-1,5-dimethoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
2,4-dibromo-1,5-dimethoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene has a molecular weight of 428.12 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-1,5-dimethoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene is sourced from PubChem (CID 59502123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).