2-[(E)-2-(4-fluorophenyl)ethenyl]-1,4-dimethoxybenzene

C16H15FO2 — CID 134138511

IUPAC2-[(E)-2-(4-fluorophenyl)ethenyl]-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(/C=C/c2ccc(F)cc2)c1
InChIInChI=1S/C16H15FO2/c1-18-15-9-10-16(19-2)13(11-15)6-3-12-4-7-14(17)8-5-12/h3-11H,1-2H3/b6-3+
InChIKeyIJBVHEOKIAOPCX-ZZXKWVIFSA-N
MW258.29 g/mol
LogP4.01
Rot. Bonds4

About 2-[(E)-2-(4-fluorophenyl)ethenyl]-1,4-dimethoxybenzene

2-[(E)-2-(4-fluorophenyl)ethenyl]-1,4-dimethoxybenzene (PubChem CID 134138511) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 2-[(E)-2-(4-fluorophenyl)ethenyl]-1,4-dimethoxybenzene.

Molecular Properties

Compound Name2-[(E)-2-(4-fluorophenyl)ethenyl]-1,4-dimethoxybenzene
PubChem CID134138511
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name2-[(E)-2-(4-fluorophenyl)ethenyl]-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(/C=C/c2ccc(F)cc2)c1
InChIInChI=1S/C16H15FO2/c1-18-15-9-10-16(19-2)13(11-15)6-3-12-4-7-14(17)8-5-12/h3-11H,1-2H3/b6-3+
InChIKeyIJBVHEOKIAOPCX-ZZXKWVIFSA-N
XLogP4.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 54.01
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-(4-fluorophenyl)ethenyl]-1,4-dimethoxybenzene?
The IUPAC name of 2-[(E)-2-(4-fluorophenyl)ethenyl]-1,4-dimethoxybenzene (CID 134138511) is 2-[(E)-2-(4-fluorophenyl)ethenyl]-1,4-dimethoxybenzene.
What is the SMILES notation for 2-[(E)-2-(4-fluorophenyl)ethenyl]-1,4-dimethoxybenzene?
The canonical SMILES for 2-[(E)-2-(4-fluorophenyl)ethenyl]-1,4-dimethoxybenzene is COc1ccc(OC)c(/C=C/c2ccc(F)cc2)c1.
What is the InChIKey of 2-[(E)-2-(4-fluorophenyl)ethenyl]-1,4-dimethoxybenzene?
The InChIKey is IJBVHEOKIAOPCX-ZZXKWVIFSA-N. The full InChI is InChI=1S/C16H15FO2/c1-18-15-9-10-16(19-2)13(11-15)6-3-12-4-7-14(17)8-5-12/h3-11H,1-2H3/b6-3+.
What are the key properties of 2-[(E)-2-(4-fluorophenyl)ethenyl]-1,4-dimethoxybenzene?
2-[(E)-2-(4-fluorophenyl)ethenyl]-1,4-dimethoxybenzene has a molecular weight of 258.29 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-fluorophenyl)ethenyl]-1,4-dimethoxybenzene is sourced from PubChem (CID 134138511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).