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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Related Compounds

1-chlorohexacene
CID 87838951
1,2,4-trichloroanthracene
CID 123482034
5,12-dichlorotetracene
CID 87498157
2-chlorotetracen-1-amine
CID 175491990
10-chlorobenzo[b]triphenylene
CID 15449469
1,2,3,4-tetrachloropentacene
CID 87495086
7,10,26,29,45,48-hexachlorohexadecacyclo[40.15.1.14,12.123,31.02,41.03,21.06,11.013,18.022,40.025,30.032,37.044,49.050,58.051,56.020,60.039,59]hexaconta-1(57),2,4,6,8,10,12(60),13,15,17,19,21,23,25,27,29,31(59),32,34,36,38,40,42,44,46,48,50(58),51,53,55-triacontaene
CID 102026599
1,2,10-trichloroanthracene
CID 123180958
hexacyclo[10.10.0.02,11.04,9.014,21.015,20]docosa-1(12),2,4,6,8,10,13,15,17,19,21-undecaene
CID 14063000
anthracene;1,2,3,4-tetrachloronaphthalene
CID 174900064
1,2-dichlorobenzene;naphthalene
CID 162050769
2-chlorobenzo[a]anthracene
CID 23367240

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).