2-bromo-6-methoxyanthracene-9,10-dione

C15H9BrO3 — CID 138963377

IUPAC2-bromo-6-methoxyanthracene-9,10-dione
SMILESCOc1ccc2c(c1)C(=O)c1ccc(Br)cc1C2=O
InChIInChI=1S/C15H9BrO3/c1-19-9-3-5-11-13(7-9)15(18)10-4-2-8(16)6-12(10)14(11)17/h2-7H,1H3
InChIKeyASTFTMIYXREUNT-UHFFFAOYSA-N
MW317.14 g/mol
LogP3.23
Rot. Bonds1

About 2-bromo-6-methoxyanthracene-9,10-dione

2-bromo-6-methoxyanthracene-9,10-dione (PubChem CID 138963377) has the molecular formula C15H9BrO3 and a molecular weight of 317.14 g/mol. Its IUPAC name is 2-bromo-6-methoxyanthracene-9,10-dione.

Molecular Properties

Compound Name2-bromo-6-methoxyanthracene-9,10-dione
PubChem CID138963377
Molecular FormulaC15H9BrO3
Molecular Weight317.14 g/mol
Exact Mass315.97
IUPAC Name2-bromo-6-methoxyanthracene-9,10-dione
SMILESCOc1ccc2c(c1)C(=O)c1ccc(Br)cc1C2=O
InChIInChI=1S/C15H9BrO3/c1-19-9-3-5-11-13(7-9)15(18)10-4-2-8(16)6-12(10)14(11)17/h2-7H,1H3
InChIKeyASTFTMIYXREUNT-UHFFFAOYSA-N
XLogP3.23
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

5-bromo-13-methoxytricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
CID 59272320
2,3-dibromo-6-methoxyinden-1-one
CID 170703221
2-methoxy-6-methylfluoren-9-one
CID 169198654
2,7-dibromo-4-methoxyfluoren-9-one
CID 175173621
2-bromotetracene-5,12-dione
CID 15745128
5-methoxy-2-[4-[4-(5-methoxy-1,3-dioxoinden-2-ylidene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]indene-1,3-dione
CID 171734451
6-methoxy-2,3-dimethylinden-1-one
CID 71441575
3-bromo-9-methoxy-5H-indeno[1,2-c]quinoline-6,11-dione
CID 141418126
(2Z)-2-(hydroxymethylidene)-5-methoxyindene-1,3-dione
CID 23147999
2-ethyl-3,6-dimethoxynaphthalene-1,4-dione
CID 19873115
2,7-dibromophenanthrene-9,10-dione
CID 159425513
1,4-dibromo-2-(5-methoxy-2-methylphenyl)benzene
CID 90975189

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxyanthracene-9,10-dione?
The IUPAC name of 2-bromo-6-methoxyanthracene-9,10-dione (CID 138963377) is 2-bromo-6-methoxyanthracene-9,10-dione.
What is the SMILES notation for 2-bromo-6-methoxyanthracene-9,10-dione?
The canonical SMILES for 2-bromo-6-methoxyanthracene-9,10-dione is COc1ccc2c(c1)C(=O)c1ccc(Br)cc1C2=O.
What is the InChIKey of 2-bromo-6-methoxyanthracene-9,10-dione?
The InChIKey is ASTFTMIYXREUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrO3/c1-19-9-3-5-11-13(7-9)15(18)10-4-2-8(16)6-12(10)14(11)17/h2-7H,1H3.
What are the key properties of 2-bromo-6-methoxyanthracene-9,10-dione?
2-bromo-6-methoxyanthracene-9,10-dione has a molecular weight of 317.14 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxyanthracene-9,10-dione is sourced from PubChem (CID 138963377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).