1,2,3-trimethoxy-5-[2-(2,4,5-trimethoxyphenyl)ethenyl]benzene

C20H24O6 — CID 85446251

IUPAC1,2,3-trimethoxy-5-[2-(2,4,5-trimethoxyphenyl)ethenyl]benzene
SMILESCOc1cc(OC)c(OC)cc1C=Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H24O6/c1-21-15-12-17(23-3)16(22-2)11-14(15)8-7-13-9-18(24-4)20(26-6)19(10-13)25-5/h7-12H,1-6H3
InChIKeyTUJXZOZTUNHJBT-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.91
Rot. Bonds8

About 1,2,3-trimethoxy-5-[2-(2,4,5-trimethoxyphenyl)ethenyl]benzene

1,2,3-trimethoxy-5-[2-(2,4,5-trimethoxyphenyl)ethenyl]benzene (PubChem CID 85446251) has the molecular formula C20H24O6 and a molecular weight of 360.41 g/mol. Its IUPAC name is 1,2,3-trimethoxy-5-[2-(2,4,5-trimethoxyphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1,2,3-trimethoxy-5-[2-(2,4,5-trimethoxyphenyl)ethenyl]benzene
PubChem CID85446251
Molecular FormulaC20H24O6
Molecular Weight360.41 g/mol
Exact Mass360.16
IUPAC Name1,2,3-trimethoxy-5-[2-(2,4,5-trimethoxyphenyl)ethenyl]benzene
SMILESCOc1cc(OC)c(OC)cc1C=Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H24O6/c1-21-15-12-17(23-3)16(22-2)11-14(15)8-7-13-9-18(24-4)20(26-6)19(10-13)25-5/h7-12H,1-6H3
InChIKeyTUJXZOZTUNHJBT-UHFFFAOYSA-N
XLogP3.91
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tetrasodium;[2-methoxy-4-phosphonatooxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate
CID 58600724
1,4-bis[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene
CID 59742495
5-[(E)-2-(4-fluoro-2-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 175460433
2-methoxy-5-methyl-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 142237968
5-[(E)-2-(4-ethenylphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 59348795
2,3-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
CID 69302242
3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diamine
CID 22349249
3-[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diol
CID 69301541
1,2,4-trimethoxy-5-prop-1-enylbenzene
CID 17903
1,2,3-trimethoxy-5-[4-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]phenyl]benzene
CID 155816049
1-methyl-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-1-ium
CID 53315592
5-[(E)-3,3-dimethylbut-1-enyl]-1,2,3-trimethoxybenzene
CID 20785899

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxy-5-[2-(2,4,5-trimethoxyphenyl)ethenyl]benzene?
The IUPAC name of 1,2,3-trimethoxy-5-[2-(2,4,5-trimethoxyphenyl)ethenyl]benzene (CID 85446251) is 1,2,3-trimethoxy-5-[2-(2,4,5-trimethoxyphenyl)ethenyl]benzene.
What is the SMILES notation for 1,2,3-trimethoxy-5-[2-(2,4,5-trimethoxyphenyl)ethenyl]benzene?
The canonical SMILES for 1,2,3-trimethoxy-5-[2-(2,4,5-trimethoxyphenyl)ethenyl]benzene is COc1cc(OC)c(OC)cc1C=Cc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 1,2,3-trimethoxy-5-[2-(2,4,5-trimethoxyphenyl)ethenyl]benzene?
The InChIKey is TUJXZOZTUNHJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O6/c1-21-15-12-17(23-3)16(22-2)11-14(15)8-7-13-9-18(24-4)20(26-6)19(10-13)25-5/h7-12H,1-6H3.
What are the key properties of 1,2,3-trimethoxy-5-[2-(2,4,5-trimethoxyphenyl)ethenyl]benzene?
1,2,3-trimethoxy-5-[2-(2,4,5-trimethoxyphenyl)ethenyl]benzene has a molecular weight of 360.41 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxy-5-[2-(2,4,5-trimethoxyphenyl)ethenyl]benzene is sourced from PubChem (CID 85446251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).