1-methoxy-4-[(E)-2-[3-methoxy-4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-(trifluoromethyl)benzene

C26H23F3O3 — CID 90670107

IUPAC1-methoxy-4-[(E)-2-[3-methoxy-4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-(trifluoromethyl)benzene
SMILESCOc1ccc(/C=C/c2ccc(/C=C/c3ccc(OC)c(C(F)(F)F)c3)cc2OC)cc1
InChIInChI=1S/C26H23F3O3/c1-30-22-13-8-18(9-14-22)6-11-21-12-7-20(17-25(21)32-3)5-4-19-10-15-24(31-2)23(16-19)26(27,28)29/h4-17H,1-3H3/b5-4+,11-6+
InChIKeyPACHZBMEUWKKBB-LJIKRCSCSA-N
MW440.46 g/mol
LogP7.07
Rot. Bonds7

About 1-methoxy-4-[(E)-2-[3-methoxy-4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-(trifluoromethyl)benzene

1-methoxy-4-[(E)-2-[3-methoxy-4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-(trifluoromethyl)benzene (PubChem CID 90670107) has the molecular formula C26H23F3O3 and a molecular weight of 440.46 g/mol. Its IUPAC name is 1-methoxy-4-[(E)-2-[3-methoxy-4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-methoxy-4-[(E)-2-[3-methoxy-4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-(trifluoromethyl)benzene
PubChem CID90670107
Molecular FormulaC26H23F3O3
Molecular Weight440.46 g/mol
Exact Mass440.16
IUPAC Name1-methoxy-4-[(E)-2-[3-methoxy-4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-(trifluoromethyl)benzene
SMILESCOc1ccc(/C=C/c2ccc(/C=C/c3ccc(OC)c(C(F)(F)F)c3)cc2OC)cc1
InChIInChI=1S/C26H23F3O3/c1-30-22-13-8-18(9-14-22)6-11-21-12-7-20(17-25(21)32-3)5-4-19-10-15-24(31-2)23(16-19)26(27,28)29/h4-17H,1-3H3/b5-4+,11-6+
InChIKeyPACHZBMEUWKKBB-LJIKRCSCSA-N
XLogP7.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.46
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-(18F)fluoroethoxy)-1,4-bis[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 11509622
2-[4-[(E)-2-[4-methoxy-3-(trifluoromethyl)phenyl]ethenyl]phenyl]-6-methyl-1,3-benzothiazole
CID 58342050
(E)-3-[4-methoxy-3-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 117333672
2-(2-bromoethoxy)-1,4-bis[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 11561767
4-[(E)-2-[4-methoxy-3-(trifluoromethyl)phenyl]ethenyl]-2-[[4-[(E)-2-[4-methoxy-3-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]sulfanyl]pyridine
CID 143493256
2,4-dimethoxy-1-[(E)-2-(3-methoxyphenyl)ethenyl]benzene
CID 90666858
1-[(Z)-2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 6604874
2-bromo-1-methoxy-4-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene
CID 92898574
4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
CID 72723773
1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]naphthalene
CID 5092945
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]benzenediazonium
CID 18996875

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(E)-2-[3-methoxy-4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-(trifluoromethyl)benzene?
The IUPAC name of 1-methoxy-4-[(E)-2-[3-methoxy-4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-(trifluoromethyl)benzene (CID 90670107) is 1-methoxy-4-[(E)-2-[3-methoxy-4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-methoxy-4-[(E)-2-[3-methoxy-4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-methoxy-4-[(E)-2-[3-methoxy-4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-(trifluoromethyl)benzene is COc1ccc(/C=C/c2ccc(/C=C/c3ccc(OC)c(C(F)(F)F)c3)cc2OC)cc1.
What is the InChIKey of 1-methoxy-4-[(E)-2-[3-methoxy-4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-(trifluoromethyl)benzene?
The InChIKey is PACHZBMEUWKKBB-LJIKRCSCSA-N. The full InChI is InChI=1S/C26H23F3O3/c1-30-22-13-8-18(9-14-22)6-11-21-12-7-20(17-25(21)32-3)5-4-19-10-15-24(31-2)23(16-19)26(27,28)29/h4-17H,1-3H3/b5-4+,11-6+.
What are the key properties of 1-methoxy-4-[(E)-2-[3-methoxy-4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-(trifluoromethyl)benzene?
1-methoxy-4-[(E)-2-[3-methoxy-4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-(trifluoromethyl)benzene has a molecular weight of 440.46 g/mol, XLogP of 7.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(E)-2-[3-methoxy-4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-(trifluoromethyl)benzene is sourced from PubChem (CID 90670107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).