9-bromo-10-ethylanthracene

C16H13Br — CID 4528206

IUPAC9-bromo-10-ethylanthracene
SMILESCCc1c2ccccc2c(Br)c2ccccc12
InChIInChI=1S/C16H13Br/c1-2-11-12-7-3-5-9-14(12)16(17)15-10-6-4-8-13(11)15/h3-10H,2H2,1H3
InChIKeyYGCMLCULQUEJGI-UHFFFAOYSA-N
MW285.18 g/mol
LogP5.32
Rot. Bonds1

About 9-bromo-10-ethylanthracene

9-bromo-10-ethylanthracene (PubChem CID 4528206) has the molecular formula C16H13Br and a molecular weight of 285.18 g/mol. Its IUPAC name is 9-bromo-10-ethylanthracene.

Molecular Properties

Compound Name9-bromo-10-ethylanthracene
PubChem CID4528206
Molecular FormulaC16H13Br
Molecular Weight285.18 g/mol
Exact Mass284.02
IUPAC Name9-bromo-10-ethylanthracene
SMILESCCc1c2ccccc2c(Br)c2ccccc12
InChIInChI=1S/C16H13Br/c1-2-11-12-7-3-5-9-14(12)16(17)15-10-6-4-8-13(11)15/h3-10H,2H2,1H3
InChIKeyYGCMLCULQUEJGI-UHFFFAOYSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.18
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-bromo-10-ethylanthracene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-bromo-10-ethylanthracene?
The IUPAC name of 9-bromo-10-ethylanthracene (CID 4528206) is 9-bromo-10-ethylanthracene.
What is the SMILES notation for 9-bromo-10-ethylanthracene?
The canonical SMILES for 9-bromo-10-ethylanthracene is CCc1c2ccccc2c(Br)c2ccccc12.
What is the InChIKey of 9-bromo-10-ethylanthracene?
The InChIKey is YGCMLCULQUEJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br/c1-2-11-12-7-3-5-9-14(12)16(17)15-10-6-4-8-13(11)15/h3-10H,2H2,1H3.
What are the key properties of 9-bromo-10-ethylanthracene?
9-bromo-10-ethylanthracene has a molecular weight of 285.18 g/mol, XLogP of 5.32, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-10-ethylanthracene is sourced from PubChem (CID 4528206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).