1-[(E)-2-(4-fluorophenyl)ethenyl]-2,3-dimethoxybenzene

C16H15FO2 — CID 134135915

IUPAC1-[(E)-2-(4-fluorophenyl)ethenyl]-2,3-dimethoxybenzene
SMILESCOc1cccc(/C=C/c2ccc(F)cc2)c1OC
InChIInChI=1S/C16H15FO2/c1-18-15-5-3-4-13(16(15)19-2)9-6-12-7-10-14(17)11-8-12/h3-11H,1-2H3/b9-6+
InChIKeyZKRRQCMOUJBBEQ-RMKNXTFCSA-N
MW258.29 g/mol
LogP4.01
Rot. Bonds4

About 1-[(E)-2-(4-fluorophenyl)ethenyl]-2,3-dimethoxybenzene

1-[(E)-2-(4-fluorophenyl)ethenyl]-2,3-dimethoxybenzene (PubChem CID 134135915) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 1-[(E)-2-(4-fluorophenyl)ethenyl]-2,3-dimethoxybenzene.

Molecular Properties

Compound Name1-[(E)-2-(4-fluorophenyl)ethenyl]-2,3-dimethoxybenzene
PubChem CID134135915
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name1-[(E)-2-(4-fluorophenyl)ethenyl]-2,3-dimethoxybenzene
SMILESCOc1cccc(/C=C/c2ccc(F)cc2)c1OC
InChIInChI=1S/C16H15FO2/c1-18-15-5-3-4-13(16(15)19-2)9-6-12-7-10-14(17)11-8-12/h3-11H,1-2H3/b9-6+
InChIKeyZKRRQCMOUJBBEQ-RMKNXTFCSA-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 1-[(E)-2-(4-fluorophenyl)ethenyl]-2,3-dimethoxybenzene?
The IUPAC name of 1-[(E)-2-(4-fluorophenyl)ethenyl]-2,3-dimethoxybenzene (CID 134135915) is 1-[(E)-2-(4-fluorophenyl)ethenyl]-2,3-dimethoxybenzene.
What is the SMILES notation for 1-[(E)-2-(4-fluorophenyl)ethenyl]-2,3-dimethoxybenzene?
The canonical SMILES for 1-[(E)-2-(4-fluorophenyl)ethenyl]-2,3-dimethoxybenzene is COc1cccc(/C=C/c2ccc(F)cc2)c1OC.
What is the InChIKey of 1-[(E)-2-(4-fluorophenyl)ethenyl]-2,3-dimethoxybenzene?
The InChIKey is ZKRRQCMOUJBBEQ-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H15FO2/c1-18-15-5-3-4-13(16(15)19-2)9-6-12-7-10-14(17)11-8-12/h3-11H,1-2H3/b9-6+.
What are the key properties of 1-[(E)-2-(4-fluorophenyl)ethenyl]-2,3-dimethoxybenzene?
1-[(E)-2-(4-fluorophenyl)ethenyl]-2,3-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 1-[(E)-2-(4-fluorophenyl)ethenyl]-2,3-dimethoxybenzene is sourced from PubChem (CID 134135915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).