9,10-dibromo-2-(4-methoxyphenyl)anthracene

C21H14Br2O — CID 59002235

IUPAC9,10-dibromo-2-(4-methoxyphenyl)anthracene
SMILESCOc1ccc(-c2ccc3c(Br)c4ccccc4c(Br)c3c2)cc1
InChIInChI=1S/C21H14Br2O/c1-24-15-9-6-13(7-10-15)14-8-11-18-19(12-14)21(23)17-5-3-2-4-16(17)20(18)22/h2-12H,1H3
InChIKeyBCUFROSIPJDSDA-UHFFFAOYSA-N
MW442.15 g/mol
LogP7.19
Rot. Bonds2

About 9,10-dibromo-2-(4-methoxyphenyl)anthracene

9,10-dibromo-2-(4-methoxyphenyl)anthracene (PubChem CID 59002235) has the molecular formula C21H14Br2O and a molecular weight of 442.15 g/mol. Its IUPAC name is 9,10-dibromo-2-(4-methoxyphenyl)anthracene.

Molecular Properties

Compound Name9,10-dibromo-2-(4-methoxyphenyl)anthracene
PubChem CID59002235
Molecular FormulaC21H14Br2O
Molecular Weight442.15 g/mol
Exact Mass439.94
IUPAC Name9,10-dibromo-2-(4-methoxyphenyl)anthracene
SMILESCOc1ccc(-c2ccc3c(Br)c4ccccc4c(Br)c3c2)cc1
InChIInChI=1S/C21H14Br2O/c1-24-15-9-6-13(7-10-15)14-8-11-18-19(12-14)21(23)17-5-3-2-4-16(17)20(18)22/h2-12H,1H3
InChIKeyBCUFROSIPJDSDA-UHFFFAOYSA-N
XLogP7.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.15
LogP ≤ 57.19
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 9,10-dibromo-2-(4-methoxyphenyl)anthracene?
The IUPAC name of 9,10-dibromo-2-(4-methoxyphenyl)anthracene (CID 59002235) is 9,10-dibromo-2-(4-methoxyphenyl)anthracene.
What is the SMILES notation for 9,10-dibromo-2-(4-methoxyphenyl)anthracene?
The canonical SMILES for 9,10-dibromo-2-(4-methoxyphenyl)anthracene is COc1ccc(-c2ccc3c(Br)c4ccccc4c(Br)c3c2)cc1.
What is the InChIKey of 9,10-dibromo-2-(4-methoxyphenyl)anthracene?
The InChIKey is BCUFROSIPJDSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Br2O/c1-24-15-9-6-13(7-10-15)14-8-11-18-19(12-14)21(23)17-5-3-2-4-16(17)20(18)22/h2-12H,1H3.
What are the key properties of 9,10-dibromo-2-(4-methoxyphenyl)anthracene?
9,10-dibromo-2-(4-methoxyphenyl)anthracene has a molecular weight of 442.15 g/mol, XLogP of 7.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dibromo-2-(4-methoxyphenyl)anthracene is sourced from PubChem (CID 59002235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).