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

C20H18O2 — CID 73353800

IUPAC2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]naphthalene
SMILESCOc1ccc(/C=C/c2ccc3ccccc3c2)cc1OC
InChIInChI=1S/C20H18O2/c1-21-19-12-10-16(14-20(19)22-2)8-7-15-9-11-17-5-3-4-6-18(17)13-15/h3-14H,1-2H3/b8-7+
InChIKeyHNCHEQWTPMSJOE-BQYQJAHWSA-N
MW290.36 g/mol
LogP5.03
Rot. Bonds4

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

2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]naphthalene (PubChem CID 73353800) has the molecular formula C20H18O2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]naphthalene.

Molecular Properties

Compound Name2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]naphthalene
PubChem CID73353800
Molecular FormulaC20H18O2
Molecular Weight290.36 g/mol
Exact Mass290.13
IUPAC Name2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]naphthalene
SMILESCOc1ccc(/C=C/c2ccc3ccccc3c2)cc1OC
InChIInChI=1S/C20H18O2/c1-21-19-12-10-16(14-20(19)22-2)8-7-15-9-11-17-5-3-4-6-18(17)13-15/h3-14H,1-2H3/b8-7+
InChIKeyHNCHEQWTPMSJOE-BQYQJAHWSA-N
XLogP5.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.36
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-dimethoxyphenyl)ethenyl]naphthalene?
The IUPAC name of 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]naphthalene (CID 73353800) is 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]naphthalene.
What is the SMILES notation for 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]naphthalene?
The canonical SMILES for 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]naphthalene is COc1ccc(/C=C/c2ccc3ccccc3c2)cc1OC.
What is the InChIKey of 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]naphthalene?
The InChIKey is HNCHEQWTPMSJOE-BQYQJAHWSA-N. The full InChI is InChI=1S/C20H18O2/c1-21-19-12-10-16(14-20(19)22-2)8-7-15-9-11-17-5-3-4-6-18(17)13-15/h3-14H,1-2H3/b8-7+.
What are the key properties of 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]naphthalene?
2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]naphthalene has a molecular weight of 290.36 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]naphthalene is sourced from PubChem (CID 73353800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).