6,7-dichloro-1,4,9,10-tetramethoxyanthracene

C18H16Cl2O4 — CID 139930251

IUPAC6,7-dichloro-1,4,9,10-tetramethoxyanthracene
SMILESCOc1ccc(OC)c2c(OC)c3cc(Cl)c(Cl)cc3c(OC)c12
InChIInChI=1S/C18H16Cl2O4/c1-21-13-5-6-14(22-2)16-15(13)17(23-3)9-7-11(19)12(20)8-10(9)18(16)24-4/h5-8H,1-4H3
InChIKeyPQMUVNDMIQENBZ-UHFFFAOYSA-N
MW367.23 g/mol
LogP5.33
Rot. Bonds4

About 6,7-dichloro-1,4,9,10-tetramethoxyanthracene

6,7-dichloro-1,4,9,10-tetramethoxyanthracene (PubChem CID 139930251) has the molecular formula C18H16Cl2O4 and a molecular weight of 367.23 g/mol. Its IUPAC name is 6,7-dichloro-1,4,9,10-tetramethoxyanthracene.

Molecular Properties

Compound Name6,7-dichloro-1,4,9,10-tetramethoxyanthracene
PubChem CID139930251
Molecular FormulaC18H16Cl2O4
Molecular Weight367.23 g/mol
Exact Mass366.04
IUPAC Name6,7-dichloro-1,4,9,10-tetramethoxyanthracene
SMILESCOc1ccc(OC)c2c(OC)c3cc(Cl)c(Cl)cc3c(OC)c12
InChIInChI=1S/C18H16Cl2O4/c1-21-13-5-6-14(22-2)16-15(13)17(23-3)9-7-11(19)12(20)8-10(9)18(16)24-4/h5-8H,1-4H3
InChIKeyPQMUVNDMIQENBZ-UHFFFAOYSA-N
XLogP5.33
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.23
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6,7-dichloro-1,4,9,10-tetramethoxyanthracene 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

1,4,5,8-tetramethoxynaphthalene
CID 10220551
8-chloro-1-methoxybenzo[e]pyrene
CID 12727109
5-chloro-7,8-dimethoxynaphthalen-1-ol
CID 86132607
6-chloro-2,3,4-trimethoxyphenol
CID 13442752
2-bromo-1,4,5,8-tetramethoxy-3-methylnaphthalene
CID 15362253
1,2,4,5-tetrachloro-3-(4,5-dichloro-2-methoxyphenoxy)benzene
CID 71372234
2-tert-butyl-4-chloro-5,8-dimethoxyquinoline
CID 43668703
1-(3-chloro-2,6-dimethoxyphenyl)cyclopropan-1-amine
CID 117327759
[3,5-dichloro-4-(4-chloro-2-methoxyphenoxy)phenyl]boronic acid
CID 156686350
1,2,3,8-tetramethoxynaphthalene
CID 91328449
2-chloro-1-methoxy-4-(4-methoxyphenyl)benzene
CID 58270167
1-chloro-4-methoxynaphthalene
CID 606038

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-1,4,9,10-tetramethoxyanthracene?
The IUPAC name of 6,7-dichloro-1,4,9,10-tetramethoxyanthracene (CID 139930251) is 6,7-dichloro-1,4,9,10-tetramethoxyanthracene.
What is the SMILES notation for 6,7-dichloro-1,4,9,10-tetramethoxyanthracene?
The canonical SMILES for 6,7-dichloro-1,4,9,10-tetramethoxyanthracene is COc1ccc(OC)c2c(OC)c3cc(Cl)c(Cl)cc3c(OC)c12.
What is the InChIKey of 6,7-dichloro-1,4,9,10-tetramethoxyanthracene?
The InChIKey is PQMUVNDMIQENBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2O4/c1-21-13-5-6-14(22-2)16-15(13)17(23-3)9-7-11(19)12(20)8-10(9)18(16)24-4/h5-8H,1-4H3.
What are the key properties of 6,7-dichloro-1,4,9,10-tetramethoxyanthracene?
6,7-dichloro-1,4,9,10-tetramethoxyanthracene has a molecular weight of 367.23 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-1,4,9,10-tetramethoxyanthracene is sourced from PubChem (CID 139930251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).