5-[(E)-2-(4-ethoxy-3-phenylmethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene

C26H28O5 — CID 166666310

IUPAC5-[(E)-2-(4-ethoxy-3-phenylmethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
SMILESCCOc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)cc1OCc1ccccc1
InChIInChI=1S/C26H28O5/c1-5-30-22-14-13-19(15-23(22)31-18-20-9-7-6-8-10-20)11-12-21-16-24(27-2)26(29-4)25(17-21)28-3/h6-17H,5,18H2,1-4H3/b12-11+
InChIKeyIWSULNJTBBFLKX-VAWYXSNFSA-N
MW420.51 g/mol
LogP5.86
Rot. Bonds10

About 5-[(E)-2-(4-ethoxy-3-phenylmethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene

5-[(E)-2-(4-ethoxy-3-phenylmethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene (PubChem CID 166666310) has the molecular formula C26H28O5 and a molecular weight of 420.51 g/mol. Its IUPAC name is 5-[(E)-2-(4-ethoxy-3-phenylmethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene.

Molecular Properties

Compound Name5-[(E)-2-(4-ethoxy-3-phenylmethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
PubChem CID166666310
Molecular FormulaC26H28O5
Molecular Weight420.51 g/mol
Exact Mass420.19
IUPAC Name5-[(E)-2-(4-ethoxy-3-phenylmethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
SMILESCCOc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)cc1OCc1ccccc1
InChIInChI=1S/C26H28O5/c1-5-30-22-14-13-19(15-23(22)31-18-20-9-7-6-8-10-20)11-12-21-16-24(27-2)26(29-4)25(17-21)28-3/h6-17H,5,18H2,1-4H3/b12-11+
InChIKeyIWSULNJTBBFLKX-VAWYXSNFSA-N
XLogP5.86
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
1-ethoxy-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
CID 90367929
3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol
CID 169454327
1-[(E)-2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene
CID 101267905
1-methoxy-3-[(E)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-5-phenylmethoxybenzene
CID 141466658
(Z)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoic acid
CID 2478599
2-methoxy-4-(2-methoxyethenyl)-1-phenylmethoxybenzene
CID 54126247
[2-ethoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] sulfamate
CID 137451049
ethyl 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 54167741
ethyl (Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 92840869
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
N-[3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enyl]acetamide
CID 169466602

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(4-ethoxy-3-phenylmethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene?
The IUPAC name of 5-[(E)-2-(4-ethoxy-3-phenylmethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene (CID 166666310) is 5-[(E)-2-(4-ethoxy-3-phenylmethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene.
What is the SMILES notation for 5-[(E)-2-(4-ethoxy-3-phenylmethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene?
The canonical SMILES for 5-[(E)-2-(4-ethoxy-3-phenylmethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene is CCOc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)cc1OCc1ccccc1.
What is the InChIKey of 5-[(E)-2-(4-ethoxy-3-phenylmethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene?
The InChIKey is IWSULNJTBBFLKX-VAWYXSNFSA-N. The full InChI is InChI=1S/C26H28O5/c1-5-30-22-14-13-19(15-23(22)31-18-20-9-7-6-8-10-20)11-12-21-16-24(27-2)26(29-4)25(17-21)28-3/h6-17H,5,18H2,1-4H3/b12-11+.
What are the key properties of 5-[(E)-2-(4-ethoxy-3-phenylmethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene?
5-[(E)-2-(4-ethoxy-3-phenylmethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene has a molecular weight of 420.51 g/mol, XLogP of 5.86, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(4-ethoxy-3-phenylmethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene is sourced from PubChem (CID 166666310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).