2-chloroanthracene

C14H9Cl — CID 28308

IUPAC2-chloroanthracene
SMILESClc1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H9Cl/c15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H
InChIKeyOWFINXQLBMJDJQ-UHFFFAOYSA-N
MW212.68 g/mol
LogP4.65
Rot. Bonds

About 2-chloroanthracene

2-chloroanthracene (PubChem CID 28308) has the molecular formula C14H9Cl and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-chloroanthracene.

Molecular Properties

Compound Name2-chloroanthracene
PubChem CID28308
Molecular FormulaC14H9Cl
Molecular Weight212.68 g/mol
Exact Mass212.04
IUPAC Name2-chloroanthracene
SMILESClc1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H9Cl/c15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H
InChIKeyOWFINXQLBMJDJQ-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 54.65
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 2-chloroanthracene?
The IUPAC name of 2-chloroanthracene (CID 28308) is 2-chloroanthracene.
What is the SMILES notation for 2-chloroanthracene?
The canonical SMILES for 2-chloroanthracene is Clc1ccc2cc3ccccc3cc2c1.
What is the InChIKey of 2-chloroanthracene?
The InChIKey is OWFINXQLBMJDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl/c15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H.
What are the key properties of 2-chloroanthracene?
2-chloroanthracene has a molecular weight of 212.68 g/mol, XLogP of 4.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroanthracene is sourced from PubChem (CID 28308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).