2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene

C21H20O3 — CID 11450040

IUPAC2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene
SMILESCOc1cc(/C=C/c2ccc3ccccc3c2)cc(OC)c1OC
InChIInChI=1S/C21H20O3/c1-22-19-13-16(14-20(23-2)21(19)24-3)9-8-15-10-11-17-6-4-5-7-18(17)12-15/h4-14H,1-3H3/b9-8+
InChIKeyGOOTUFTVCKSZRA-CMDGGOBGSA-N
MW320.39 g/mol
LogP5.04
Rot. Bonds5

About 2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene

2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene (PubChem CID 11450040) has the molecular formula C21H20O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene.

Molecular Properties

Compound Name2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene
PubChem CID11450040
Molecular FormulaC21H20O3
Molecular Weight320.39 g/mol
Exact Mass320.14
IUPAC Name2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene
SMILESCOc1cc(/C=C/c2ccc3ccccc3c2)cc(OC)c1OC
InChIInChI=1S/C21H20O3/c1-22-19-13-16(14-20(23-2)21(19)24-3)9-8-15-10-11-17-6-4-5-7-18(17)12-15/h4-14H,1-3H3/b9-8+
InChIKeyGOOTUFTVCKSZRA-CMDGGOBGSA-N
XLogP5.04
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.39
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene?
The IUPAC name of 2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene (CID 11450040) is 2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene.
What is the SMILES notation for 2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene?
The canonical SMILES for 2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene is COc1cc(/C=C/c2ccc3ccccc3c2)cc(OC)c1OC.
What is the InChIKey of 2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene?
The InChIKey is GOOTUFTVCKSZRA-CMDGGOBGSA-N. The full InChI is InChI=1S/C21H20O3/c1-22-19-13-16(14-20(23-2)21(19)24-3)9-8-15-10-11-17-6-4-5-7-18(17)12-15/h4-14H,1-3H3/b9-8+.
What are the key properties of 2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene?
2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene has a molecular weight of 320.39 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene is sourced from PubChem (CID 11450040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).