1-[(E)-2-methoxyethenyl]pyrene

C19H14O — CID 6438564

IUPAC1-[(E)-2-methoxyethenyl]pyrene
SMILESCO/C=C/c1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C19H14O/c1-20-12-11-13-5-6-16-8-7-14-3-2-4-15-9-10-17(13)19(16)18(14)15/h2-12H,1H3/b12-11+
InChIKeySGTJXHYDKUXJRK-VAWYXSNFSA-N
MW258.32 g/mol
LogP5.20
Rot. Bonds2

About 1-[(E)-2-methoxyethenyl]pyrene

1-[(E)-2-methoxyethenyl]pyrene (PubChem CID 6438564) has the molecular formula C19H14O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[(E)-2-methoxyethenyl]pyrene.

Molecular Properties

Compound Name1-[(E)-2-methoxyethenyl]pyrene
PubChem CID6438564
Molecular FormulaC19H14O
Molecular Weight258.32 g/mol
Exact Mass258.10
IUPAC Name1-[(E)-2-methoxyethenyl]pyrene
SMILESCO/C=C/c1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C19H14O/c1-20-12-11-13-5-6-16-8-7-14-3-2-4-15-9-10-17(13)19(16)18(14)15/h2-12H,1H3/b12-11+
InChIKeySGTJXHYDKUXJRK-VAWYXSNFSA-N
XLogP5.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.32
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-methoxyethenyl]pyrene?
The IUPAC name of 1-[(E)-2-methoxyethenyl]pyrene (CID 6438564) is 1-[(E)-2-methoxyethenyl]pyrene.
What is the SMILES notation for 1-[(E)-2-methoxyethenyl]pyrene?
The canonical SMILES for 1-[(E)-2-methoxyethenyl]pyrene is CO/C=C/c1ccc2ccc3cccc4ccc1c2c34.
What is the InChIKey of 1-[(E)-2-methoxyethenyl]pyrene?
The InChIKey is SGTJXHYDKUXJRK-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H14O/c1-20-12-11-13-5-6-16-8-7-14-3-2-4-15-9-10-17(13)19(16)18(14)15/h2-12H,1H3/b12-11+.
What are the key properties of 1-[(E)-2-methoxyethenyl]pyrene?
1-[(E)-2-methoxyethenyl]pyrene has a molecular weight of 258.32 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-methoxyethenyl]pyrene is sourced from PubChem (CID 6438564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).