5-[(Z)-2-(4-bromophenyl)ethenyl]-1,2,3-trimethoxybenzene

C17H17BrO3 — CID 5388768

IUPAC5-[(Z)-2-(4-bromophenyl)ethenyl]-1,2,3-trimethoxybenzene
SMILESCOc1cc(/C=C\c2ccc(Br)cc2)cc(OC)c1OC
InChIInChI=1S/C17H17BrO3/c1-19-15-10-13(11-16(20-2)17(15)21-3)5-4-12-6-8-14(18)9-7-12/h4-11H,1-3H3/b5-4-
InChIKeyUBBBWYGKBDCYDY-PLNGDYQASA-N
MW349.22 g/mol
LogP4.65
Rot. Bonds5

About 5-[(Z)-2-(4-bromophenyl)ethenyl]-1,2,3-trimethoxybenzene

5-[(Z)-2-(4-bromophenyl)ethenyl]-1,2,3-trimethoxybenzene (PubChem CID 5388768) has the molecular formula C17H17BrO3 and a molecular weight of 349.22 g/mol. Its IUPAC name is 5-[(Z)-2-(4-bromophenyl)ethenyl]-1,2,3-trimethoxybenzene.

Molecular Properties

Compound Name5-[(Z)-2-(4-bromophenyl)ethenyl]-1,2,3-trimethoxybenzene
PubChem CID5388768
Molecular FormulaC17H17BrO3
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name5-[(Z)-2-(4-bromophenyl)ethenyl]-1,2,3-trimethoxybenzene
SMILESCOc1cc(/C=C\c2ccc(Br)cc2)cc(OC)c1OC
InChIInChI=1S/C17H17BrO3/c1-19-15-10-13(11-16(20-2)17(15)21-3)5-4-12-6-8-14(18)9-7-12/h4-11H,1-3H3/b5-4-
InChIKeyUBBBWYGKBDCYDY-PLNGDYQASA-N
XLogP4.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[(Z)-2-(4-bromophenyl)ethenyl]-1,2,3-trimethoxybenzene 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

Elemicin
CID 10248
Trismethoxyresveratrol
CID 5388063
Isoelemicin
CID 5318557
3,4,5-Trimethoxytoluene
CID 80922
5-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-Benzenediol
CID 44563762
1-(4-Methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethene
CID 5388779
2,3,4,4'-Tetramethoxy-1,1'-biphenyl
CID 165441
(Z)-3,5,4'-Trimethoxystilbene
CID 9878556
(E)-3,4,3',5'-Tetramethoxystilbene
CID 5387294
Benzene, 4-(2-(3,5-dimethoxyphenyl)ethyl)-1,2-dimethoxy-
CID 14079759
Boronic acid, trans-6
CID 11544706
1-bromo-2,3-dimethoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene
CID 16090832

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-(4-bromophenyl)ethenyl]-1,2,3-trimethoxybenzene?
The IUPAC name of 5-[(Z)-2-(4-bromophenyl)ethenyl]-1,2,3-trimethoxybenzene (CID 5388768) is 5-[(Z)-2-(4-bromophenyl)ethenyl]-1,2,3-trimethoxybenzene.
What is the SMILES notation for 5-[(Z)-2-(4-bromophenyl)ethenyl]-1,2,3-trimethoxybenzene?
The canonical SMILES for 5-[(Z)-2-(4-bromophenyl)ethenyl]-1,2,3-trimethoxybenzene is COc1cc(/C=C\c2ccc(Br)cc2)cc(OC)c1OC.
What is the InChIKey of 5-[(Z)-2-(4-bromophenyl)ethenyl]-1,2,3-trimethoxybenzene?
The InChIKey is UBBBWYGKBDCYDY-PLNGDYQASA-N. The full InChI is InChI=1S/C17H17BrO3/c1-19-15-10-13(11-16(20-2)17(15)21-3)5-4-12-6-8-14(18)9-7-12/h4-11H,1-3H3/b5-4-.
What are the key properties of 5-[(Z)-2-(4-bromophenyl)ethenyl]-1,2,3-trimethoxybenzene?
5-[(Z)-2-(4-bromophenyl)ethenyl]-1,2,3-trimethoxybenzene has a molecular weight of 349.22 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-(4-bromophenyl)ethenyl]-1,2,3-trimethoxybenzene is sourced from PubChem (CID 5388768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).