1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-fluoro-4-methoxybenzene

C17H17FO3 — CID 11808336

IUPAC1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-fluoro-4-methoxybenzene
SMILESCOc1cc(/C=C/c2ccc(OC)cc2F)cc(OC)c1
InChIInChI=1S/C17H17FO3/c1-19-14-7-6-13(17(18)11-14)5-4-12-8-15(20-2)10-16(9-12)21-3/h4-11H,1-3H3/b5-4+
InChIKeyDBEAGEQUAIXDEA-SNAWJCMRSA-N
MW288.32 g/mol
LogP4.02
Rot. Bonds5

About 1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-fluoro-4-methoxybenzene

1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-fluoro-4-methoxybenzene (PubChem CID 11808336) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-fluoro-4-methoxybenzene.

Molecular Properties

Compound Name1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-fluoro-4-methoxybenzene
PubChem CID11808336
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Name1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-fluoro-4-methoxybenzene
SMILESCOc1cc(/C=C/c2ccc(OC)cc2F)cc(OC)c1
InChIInChI=1S/C17H17FO3/c1-19-14-7-6-13(17(18)11-14)5-4-12-8-15(20-2)10-16(9-12)21-3/h4-11H,1-3H3/b5-4+
InChIKeyDBEAGEQUAIXDEA-SNAWJCMRSA-N
XLogP4.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 54.02
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 1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-fluoro-4-methoxybenzene?
The IUPAC name of 1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-fluoro-4-methoxybenzene (CID 11808336) is 1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-fluoro-4-methoxybenzene.
What is the SMILES notation for 1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-fluoro-4-methoxybenzene?
The canonical SMILES for 1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-fluoro-4-methoxybenzene is COc1cc(/C=C/c2ccc(OC)cc2F)cc(OC)c1.
What is the InChIKey of 1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-fluoro-4-methoxybenzene?
The InChIKey is DBEAGEQUAIXDEA-SNAWJCMRSA-N. The full InChI is InChI=1S/C17H17FO3/c1-19-14-7-6-13(17(18)11-14)5-4-12-8-15(20-2)10-16(9-12)21-3/h4-11H,1-3H3/b5-4+.
What are the key properties of 1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-fluoro-4-methoxybenzene?
1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-fluoro-4-methoxybenzene has a molecular weight of 288.32 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-fluoro-4-methoxybenzene is sourced from PubChem (CID 11808336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).