2,6-dibromo-3,7-dimethoxyanthracene

C16H12Br2O2 — CID 71486227

IUPAC2,6-dibromo-3,7-dimethoxyanthracene
SMILESCOc1cc2cc3cc(Br)c(OC)cc3cc2cc1Br
InChIInChI=1S/C16H12Br2O2/c1-19-15-7-11-3-10-6-14(18)16(20-2)8-12(10)4-9(11)5-13(15)17/h3-8H,1-2H3
InChIKeyOYADUFYTFRSMJU-UHFFFAOYSA-N
MW396.08 g/mol
LogP5.54
Rot. Bonds2

About 2,6-dibromo-3,7-dimethoxyanthracene

2,6-dibromo-3,7-dimethoxyanthracene (PubChem CID 71486227) has the molecular formula C16H12Br2O2 and a molecular weight of 396.08 g/mol. Its IUPAC name is 2,6-dibromo-3,7-dimethoxyanthracene.

Molecular Properties

Compound Name2,6-dibromo-3,7-dimethoxyanthracene
PubChem CID71486227
Molecular FormulaC16H12Br2O2
Molecular Weight396.08 g/mol
Exact Mass393.92
IUPAC Name2,6-dibromo-3,7-dimethoxyanthracene
SMILESCOc1cc2cc3cc(Br)c(OC)cc3cc2cc1Br
InChIInChI=1S/C16H12Br2O2/c1-19-15-7-11-3-10-6-14(18)16(20-2)8-12(10)4-9(11)5-13(15)17/h3-8H,1-2H3
InChIKeyOYADUFYTFRSMJU-UHFFFAOYSA-N
XLogP5.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.08
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Bromo-6-methoxynaphthalene
CID 78786
1-Bromo-2-methoxynaphthalene
CID 72860
AR-D38 2,7-Dimethoxyphenanthrene
CID 299494
(S)-3,3'-Dibromo-2,2'-dimethoxy-1,1'-binaphthyl
CID 394170
1,6-Dibromo-2-methoxy-naphthalene
CID 3503057
2-Bromo-3-methoxynaphthalene
CID 13351910
Phenanthrene, 6-bromo-1,2,3,4,4a,9,10,10a-octahydro-7-methoxy-1,1,4a-trimethyl-8-(1-methylethyl)-, (4aS,10aS)-
CID 484412
(R)-6,6'-Dibromo-2,2'-bis(methoxymethoxy)-1,1'-binaphthalene
CID 10839989
9-Bromo-10-(bromomethyl)-2,3,6,7-tetramethoxyphenanthrene
CID 46186035
3,6-Dimethoxyphenanthrene
CID 617168
2-(6-Bromo-2-methoxynaphthalen-1-yl)acetonitrile
CID 712452
2-Bromo-6-ethoxynaphthalene
CID 236858

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-3,7-dimethoxyanthracene?
The IUPAC name of 2,6-dibromo-3,7-dimethoxyanthracene (CID 71486227) is 2,6-dibromo-3,7-dimethoxyanthracene.
What is the SMILES notation for 2,6-dibromo-3,7-dimethoxyanthracene?
The canonical SMILES for 2,6-dibromo-3,7-dimethoxyanthracene is COc1cc2cc3cc(Br)c(OC)cc3cc2cc1Br.
What is the InChIKey of 2,6-dibromo-3,7-dimethoxyanthracene?
The InChIKey is OYADUFYTFRSMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2O2/c1-19-15-7-11-3-10-6-14(18)16(20-2)8-12(10)4-9(11)5-13(15)17/h3-8H,1-2H3.
What are the key properties of 2,6-dibromo-3,7-dimethoxyanthracene?
2,6-dibromo-3,7-dimethoxyanthracene has a molecular weight of 396.08 g/mol, XLogP of 5.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-3,7-dimethoxyanthracene is sourced from PubChem (CID 71486227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).