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

C20H23BrO5 — CID 56935715

IUPAC5-[(Z)-2-[3-(2-bromoethoxy)-4-methoxyphenyl]ethenyl]-1,2,3-trimethoxybenzene
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCCBr
InChIInChI=1S/C20H23BrO5/c1-22-16-8-7-14(11-17(16)26-10-9-21)5-6-15-12-18(23-2)20(25-4)19(13-15)24-3/h5-8,11-13H,9-10H2,1-4H3/b6-5-
InChIKeyXGVJZSJHOQLWQC-WAYWQWQTSA-N
MW423.30 g/mol
LogP4.67
Rot. Bonds9

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

5-[(Z)-2-[3-(2-bromoethoxy)-4-methoxyphenyl]ethenyl]-1,2,3-trimethoxybenzene (PubChem CID 56935715) has the molecular formula C20H23BrO5 and a molecular weight of 423.30 g/mol. Its IUPAC name is 5-[(Z)-2-[3-(2-bromoethoxy)-4-methoxyphenyl]ethenyl]-1,2,3-trimethoxybenzene.

Molecular Properties

Compound Name5-[(Z)-2-[3-(2-bromoethoxy)-4-methoxyphenyl]ethenyl]-1,2,3-trimethoxybenzene
PubChem CID56935715
Molecular FormulaC20H23BrO5
Molecular Weight423.30 g/mol
Exact Mass422.07
IUPAC Name5-[(Z)-2-[3-(2-bromoethoxy)-4-methoxyphenyl]ethenyl]-1,2,3-trimethoxybenzene
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCCBr
InChIInChI=1S/C20H23BrO5/c1-22-16-8-7-14(11-17(16)26-10-9-21)5-6-15-12-18(23-2)20(25-4)19(13-15)24-3/h5-8,11-13H,9-10H2,1-4H3/b6-5-
InChIKeyXGVJZSJHOQLWQC-WAYWQWQTSA-N
XLogP4.67
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.30
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]ethyl]-4-methylpiperazine
CID 11341288
tert-butyl-[3-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]propoxy]-dimethylsilane
CID 11156035
5-[(E)-2-[4-(bromomethyl)phenyl]ethenyl]-1,2,3-trimethoxybenzene
CID 102253112
(Z)-3-[4-(2-bromoethoxy)-3-methoxyphenyl]prop-2-enamide
CID 170877086
2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 53415045
5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene;phosphoric acid
CID 69301542
tert-butyl-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane
CID 5386557
2-(2-bromoethoxy)-1,4-bis[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 11561767
5-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-2,3-dimethoxyphenol
CID 5386528
5-[2-(4-butoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 86208123
5-[2-(4-fluoro-3-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 175460440
1-methoxy-2-(methoxymethoxy)-4-[(E)-2-[4-[(E)-2-[4-methoxy-3-(methoxymethoxy)phenyl]ethenyl]phenyl]ethenyl]benzene
CID 11730255

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-[3-(2-bromoethoxy)-4-methoxyphenyl]ethenyl]-1,2,3-trimethoxybenzene?
The IUPAC name of 5-[(Z)-2-[3-(2-bromoethoxy)-4-methoxyphenyl]ethenyl]-1,2,3-trimethoxybenzene (CID 56935715) is 5-[(Z)-2-[3-(2-bromoethoxy)-4-methoxyphenyl]ethenyl]-1,2,3-trimethoxybenzene.
What is the SMILES notation for 5-[(Z)-2-[3-(2-bromoethoxy)-4-methoxyphenyl]ethenyl]-1,2,3-trimethoxybenzene?
The canonical SMILES for 5-[(Z)-2-[3-(2-bromoethoxy)-4-methoxyphenyl]ethenyl]-1,2,3-trimethoxybenzene is COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCCBr.
What is the InChIKey of 5-[(Z)-2-[3-(2-bromoethoxy)-4-methoxyphenyl]ethenyl]-1,2,3-trimethoxybenzene?
The InChIKey is XGVJZSJHOQLWQC-WAYWQWQTSA-N. The full InChI is InChI=1S/C20H23BrO5/c1-22-16-8-7-14(11-17(16)26-10-9-21)5-6-15-12-18(23-2)20(25-4)19(13-15)24-3/h5-8,11-13H,9-10H2,1-4H3/b6-5-.
What are the key properties of 5-[(Z)-2-[3-(2-bromoethoxy)-4-methoxyphenyl]ethenyl]-1,2,3-trimethoxybenzene?
5-[(Z)-2-[3-(2-bromoethoxy)-4-methoxyphenyl]ethenyl]-1,2,3-trimethoxybenzene has a molecular weight of 423.30 g/mol, XLogP of 4.67, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-[3-(2-bromoethoxy)-4-methoxyphenyl]ethenyl]-1,2,3-trimethoxybenzene is sourced from PubChem (CID 56935715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).