1-[(E)-pent-1-enyl]anthracene

C19H18 — CID 173041440

IUPAC1-[(E)-pent-1-enyl]anthracene
SMILESCCC/C=C/c1cccc2cc3ccccc3cc12
InChIInChI=1S/C19H18/c1-2-3-4-8-15-11-7-12-18-13-16-9-5-6-10-17(16)14-19(15)18/h4-14H,2-3H2,1H3/b8-4+
InChIKeyJFVXRBQBYVMAJP-XBXARRHUSA-N
MW246.35 g/mol
LogP5.81
Rot. Bonds3

About 1-[(E)-pent-1-enyl]anthracene

1-[(E)-pent-1-enyl]anthracene (PubChem CID 173041440) has the molecular formula C19H18 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[(E)-pent-1-enyl]anthracene.

Molecular Properties

Compound Name1-[(E)-pent-1-enyl]anthracene
PubChem CID173041440
Molecular FormulaC19H18
Molecular Weight246.35 g/mol
Exact Mass246.14
IUPAC Name1-[(E)-pent-1-enyl]anthracene
SMILESCCC/C=C/c1cccc2cc3ccccc3cc12
InChIInChI=1S/C19H18/c1-2-3-4-8-15-11-7-12-18-13-16-9-5-6-10-17(16)14-19(15)18/h4-14H,2-3H2,1H3/b8-4+
InChIKeyJFVXRBQBYVMAJP-XBXARRHUSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.35
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-pent-1-enyl]anthracene?
The IUPAC name of 1-[(E)-pent-1-enyl]anthracene (CID 173041440) is 1-[(E)-pent-1-enyl]anthracene.
What is the SMILES notation for 1-[(E)-pent-1-enyl]anthracene?
The canonical SMILES for 1-[(E)-pent-1-enyl]anthracene is CCC/C=C/c1cccc2cc3ccccc3cc12.
What is the InChIKey of 1-[(E)-pent-1-enyl]anthracene?
The InChIKey is JFVXRBQBYVMAJP-XBXARRHUSA-N. The full InChI is InChI=1S/C19H18/c1-2-3-4-8-15-11-7-12-18-13-16-9-5-6-10-17(16)14-19(15)18/h4-14H,2-3H2,1H3/b8-4+.
What are the key properties of 1-[(E)-pent-1-enyl]anthracene?
1-[(E)-pent-1-enyl]anthracene has a molecular weight of 246.35 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-pent-1-enyl]anthracene is sourced from PubChem (CID 173041440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).