9-(3-bromoprop-1-enyl)anthracene

C17H13Br — CID 169476418

IUPAC9-(3-bromoprop-1-enyl)anthracene
SMILESBrCC=Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C17H13Br/c18-11-5-10-17-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)17/h1-10,12H,11H2
InChIKeyHGJJSYAEJQLXLN-UHFFFAOYSA-N
MW297.20 g/mol
LogP5.40
Rot. Bonds2

About 9-(3-bromoprop-1-enyl)anthracene

9-(3-bromoprop-1-enyl)anthracene (PubChem CID 169476418) has the molecular formula C17H13Br and a molecular weight of 297.20 g/mol. Its IUPAC name is 9-(3-bromoprop-1-enyl)anthracene.

Molecular Properties

Compound Name9-(3-bromoprop-1-enyl)anthracene
PubChem CID169476418
Molecular FormulaC17H13Br
Molecular Weight297.20 g/mol
Exact Mass296.02
IUPAC Name9-(3-bromoprop-1-enyl)anthracene
SMILESBrCC=Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C17H13Br/c18-11-5-10-17-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)17/h1-10,12H,11H2
InChIKeyHGJJSYAEJQLXLN-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.20
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-(3-bromoprop-1-enyl)anthracene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(4-bromobut-1-enyl)anthracene
CID 170498426
3-anthracen-9-ylprop-2-en-1-amine
CID 169464466
9-pent-1-enylanthracene
CID 173045692
1-(3-bromoprop-1-enyl)naphthalene-2-carbaldehyde
CID 169476208
9-[(E)-3-naphthalen-1-ylprop-1-enyl]anthracene
CID 10569477
4-anthracen-9-ylbut-3-enamide
CID 170798903
9-[(E)-2-naphthalen-1-ylethenyl]anthracene
CID 139205427
9-(2-naphthalen-1-ylethenyl)anthracene
CID 630261
1-[(E)-3-anthracen-9-ylprop-1-enyl]naphthalen-2-ol
CID 102214824
S-(3-anthracen-9-ylprop-2-enyl) ethanethioate
CID 169458206
1-(4-bromobut-1-enyl)-2-methylnaphthalene
CID 170498133
[(Z)-2-anthracen-9-ylethenyl]-oxidoazanium
CID 102288508

Frequently Asked Questions

What is the IUPAC name of 9-(3-bromoprop-1-enyl)anthracene?
The IUPAC name of 9-(3-bromoprop-1-enyl)anthracene (CID 169476418) is 9-(3-bromoprop-1-enyl)anthracene.
What is the SMILES notation for 9-(3-bromoprop-1-enyl)anthracene?
The canonical SMILES for 9-(3-bromoprop-1-enyl)anthracene is BrCC=Cc1c2ccccc2cc2ccccc12.
What is the InChIKey of 9-(3-bromoprop-1-enyl)anthracene?
The InChIKey is HGJJSYAEJQLXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Br/c18-11-5-10-17-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)17/h1-10,12H,11H2.
What are the key properties of 9-(3-bromoprop-1-enyl)anthracene?
9-(3-bromoprop-1-enyl)anthracene has a molecular weight of 297.20 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-bromoprop-1-enyl)anthracene is sourced from PubChem (CID 169476418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).