1,4-dichloroanthracene

C14H8Cl2 — CID 3497125

IUPAC1,4-dichloroanthracene
SMILESClc1ccc(Cl)c2cc3ccccc3cc12
InChIInChI=1S/C14H8Cl2/c15-13-5-6-14(16)12-8-10-4-2-1-3-9(10)7-11(12)13/h1-8H
InChIKeyQGFHQIHSEPNVKV-UHFFFAOYSA-N
MW247.12 g/mol
LogP5.30
Rot. Bonds

About 1,4-dichloroanthracene

1,4-dichloroanthracene (PubChem CID 3497125) has the molecular formula C14H8Cl2 and a molecular weight of 247.12 g/mol. Its IUPAC name is 1,4-dichloroanthracene.

Molecular Properties

Compound Name1,4-dichloroanthracene
PubChem CID3497125
Molecular FormulaC14H8Cl2
Molecular Weight247.12 g/mol
Exact Mass246.00
IUPAC Name1,4-dichloroanthracene
SMILESClc1ccc(Cl)c2cc3ccccc3cc12
InChIInChI=1S/C14H8Cl2/c15-13-5-6-14(16)12-8-10-4-2-1-3-9(10)7-11(12)13/h1-8H
InChIKeyQGFHQIHSEPNVKV-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.12
LogP ≤ 55.30
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 1,4-dichloroanthracene?
The IUPAC name of 1,4-dichloroanthracene (CID 3497125) is 1,4-dichloroanthracene.
What is the SMILES notation for 1,4-dichloroanthracene?
The canonical SMILES for 1,4-dichloroanthracene is Clc1ccc(Cl)c2cc3ccccc3cc12.
What is the InChIKey of 1,4-dichloroanthracene?
The InChIKey is QGFHQIHSEPNVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2/c15-13-5-6-14(16)12-8-10-4-2-1-3-9(10)7-11(12)13/h1-8H.
What are the key properties of 1,4-dichloroanthracene?
1,4-dichloroanthracene has a molecular weight of 247.12 g/mol, XLogP of 5.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloroanthracene is sourced from PubChem (CID 3497125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).