1,8-dichloro-9-methoxyanthracene

C15H10Cl2O — CID 3373226

IUPAC1,8-dichloro-9-methoxyanthracene
SMILESCOc1c2c(Cl)cccc2cc2cccc(Cl)c12
InChIInChI=1S/C15H10Cl2O/c1-18-15-13-9(4-2-6-11(13)16)8-10-5-3-7-12(17)14(10)15/h2-8H,1H3
InChIKeyOQELMUBMCWLRCL-UHFFFAOYSA-N
MW277.15 g/mol
LogP5.31
Rot. Bonds1

About 1,8-dichloro-9-methoxyanthracene

1,8-dichloro-9-methoxyanthracene (PubChem CID 3373226) has the molecular formula C15H10Cl2O and a molecular weight of 277.15 g/mol. Its IUPAC name is 1,8-dichloro-9-methoxyanthracene.

Molecular Properties

Compound Name1,8-dichloro-9-methoxyanthracene
PubChem CID3373226
Molecular FormulaC15H10Cl2O
Molecular Weight277.15 g/mol
Exact Mass276.01
IUPAC Name1,8-dichloro-9-methoxyanthracene
SMILESCOc1c2c(Cl)cccc2cc2cccc(Cl)c12
InChIInChI=1S/C15H10Cl2O/c1-18-15-13-9(4-2-6-11(13)16)8-10-5-3-7-12(17)14(10)15/h2-8H,1H3
InChIKeyOQELMUBMCWLRCL-UHFFFAOYSA-N
XLogP5.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.15
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,8-dichloro-9-methoxyanthracene?
The IUPAC name of 1,8-dichloro-9-methoxyanthracene (CID 3373226) is 1,8-dichloro-9-methoxyanthracene.
What is the SMILES notation for 1,8-dichloro-9-methoxyanthracene?
The canonical SMILES for 1,8-dichloro-9-methoxyanthracene is COc1c2c(Cl)cccc2cc2cccc(Cl)c12.
What is the InChIKey of 1,8-dichloro-9-methoxyanthracene?
The InChIKey is OQELMUBMCWLRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2O/c1-18-15-13-9(4-2-6-11(13)16)8-10-5-3-7-12(17)14(10)15/h2-8H,1H3.
What are the key properties of 1,8-dichloro-9-methoxyanthracene?
1,8-dichloro-9-methoxyanthracene has a molecular weight of 277.15 g/mol, XLogP of 5.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dichloro-9-methoxyanthracene is sourced from PubChem (CID 3373226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).