2-((18F)fluoromethyl)-3-[4-[(E)-2-[4-(methylamino)phenyl]ethenyl]phenoxy]propan-1-ol

C19H22FNO2 — CID 11220755

IUPAC2-((18F)fluoromethyl)-3-[4-[(E)-2-[4-(methylamino)phenyl]ethenyl]phenoxy]propan-1-ol
SMILESCNc1ccc(/C=C/c2ccc(OCC(CO)C[18F])cc2)cc1
InChIInChI=1S/C19H22FNO2/c1-21-18-8-4-15(5-9-18)2-3-16-6-10-19(11-7-16)23-14-17(12-20)13-22/h2-11,17,21-22H,12-14H2,1H3/b3-2+/i20-1
InChIKeyMIAAEZHCLGEOTC-XUZJFQRFSA-N
MW314.39 g/mol
LogP3.86
Rot. Bonds8

About 2-((18F)fluoromethyl)-3-[4-[(E)-2-[4-(methylamino)phenyl]ethenyl]phenoxy]propan-1-ol

2-((18F)fluoromethyl)-3-[4-[(E)-2-[4-(methylamino)phenyl]ethenyl]phenoxy]propan-1-ol (PubChem CID 11220755) has the molecular formula C19H22FNO2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-((18F)fluoromethyl)-3-[4-[(E)-2-[4-(methylamino)phenyl]ethenyl]phenoxy]propan-1-ol.

Molecular Properties

Compound Name2-((18F)fluoromethyl)-3-[4-[(E)-2-[4-(methylamino)phenyl]ethenyl]phenoxy]propan-1-ol
PubChem CID11220755
Molecular FormulaC19H22FNO2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-((18F)fluoromethyl)-3-[4-[(E)-2-[4-(methylamino)phenyl]ethenyl]phenoxy]propan-1-ol
SMILESCNc1ccc(/C=C/c2ccc(OCC(CO)C[18F])cc2)cc1
InChIInChI=1S/C19H22FNO2/c1-21-18-8-4-15(5-9-18)2-3-16-6-10-19(11-7-16)23-14-17(12-20)13-22/h2-11,17,21-22H,12-14H2,1H3/b3-2+/i20-1
InChIKeyMIAAEZHCLGEOTC-XUZJFQRFSA-N
XLogP3.86
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.86
H-Bond Donors ≤ 52
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-((18F)fluoromethyl)-3-[4-[(E)-2-[4-(methylamino)phenyl]ethenyl]phenoxy]propan-1-ol?
The IUPAC name of 2-((18F)fluoromethyl)-3-[4-[(E)-2-[4-(methylamino)phenyl]ethenyl]phenoxy]propan-1-ol (CID 11220755) is 2-((18F)fluoromethyl)-3-[4-[(E)-2-[4-(methylamino)phenyl]ethenyl]phenoxy]propan-1-ol.
What is the SMILES notation for 2-((18F)fluoromethyl)-3-[4-[(E)-2-[4-(methylamino)phenyl]ethenyl]phenoxy]propan-1-ol?
The canonical SMILES for 2-((18F)fluoromethyl)-3-[4-[(E)-2-[4-(methylamino)phenyl]ethenyl]phenoxy]propan-1-ol is CNc1ccc(/C=C/c2ccc(OCC(CO)C[18F])cc2)cc1.
What is the InChIKey of 2-((18F)fluoromethyl)-3-[4-[(E)-2-[4-(methylamino)phenyl]ethenyl]phenoxy]propan-1-ol?
The InChIKey is MIAAEZHCLGEOTC-XUZJFQRFSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-21-18-8-4-15(5-9-18)2-3-16-6-10-19(11-7-16)23-14-17(12-20)13-22/h2-11,17,21-22H,12-14H2,1H3/b3-2+/i20-1.
What are the key properties of 2-((18F)fluoromethyl)-3-[4-[(E)-2-[4-(methylamino)phenyl]ethenyl]phenoxy]propan-1-ol?
2-((18F)fluoromethyl)-3-[4-[(E)-2-[4-(methylamino)phenyl]ethenyl]phenoxy]propan-1-ol has a molecular weight of 314.39 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-((18F)fluoromethyl)-3-[4-[(E)-2-[4-(methylamino)phenyl]ethenyl]phenoxy]propan-1-ol is sourced from PubChem (CID 11220755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).