1,5-dibromo-4,8-dimethylanthracene-9,10-dione

C16H10Br2O2 — CID 158328255

IUPAC1,5-dibromo-4,8-dimethylanthracene-9,10-dione
SMILESCc1ccc(Br)c2c1C(=O)c1c(Br)ccc(C)c1C2=O
InChIInChI=1S/C16H10Br2O2/c1-7-3-5-9(17)13-11(7)15(19)14-10(18)6-4-8(2)12(14)16(13)20/h3-6H,1-2H3
InChIKeyAEJWHEHNPJLLHW-UHFFFAOYSA-N
MW394.06 g/mol
LogP4.60
Rot. Bonds

About 1,5-dibromo-4,8-dimethylanthracene-9,10-dione

1,5-dibromo-4,8-dimethylanthracene-9,10-dione (PubChem CID 158328255) has the molecular formula C16H10Br2O2 and a molecular weight of 394.06 g/mol. Its IUPAC name is 1,5-dibromo-4,8-dimethylanthracene-9,10-dione.

Molecular Properties

Compound Name1,5-dibromo-4,8-dimethylanthracene-9,10-dione
PubChem CID158328255
Molecular FormulaC16H10Br2O2
Molecular Weight394.06 g/mol
Exact Mass391.90
IUPAC Name1,5-dibromo-4,8-dimethylanthracene-9,10-dione
SMILESCc1ccc(Br)c2c1C(=O)c1c(Br)ccc(C)c1C2=O
InChIInChI=1S/C16H10Br2O2/c1-7-3-5-9(17)13-11(7)15(19)14-10(18)6-4-8(2)12(14)16(13)20/h3-6H,1-2H3
InChIKeyAEJWHEHNPJLLHW-UHFFFAOYSA-N
XLogP4.60
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.06
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-difluoro-5,8-dimethylanthracene-9,10-dione
CID 10890992
10-bromo-3,6,14-trimethyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione
CID 101192266
1-bromo-2-(2-bromo-6-methylphenyl)-3-methylbenzene
CID 14113190
7-bromo-1,4-dimethylindole-2,3-dione
CID 164567048
N-(8-acetamido-4,5-dibromo-9,10-dioxoanthracen-1-yl)acetamide
CID 4183383
4-bromo-7-methyl-1-benzofuran-3-one
CID 107285253
(2E)-2-(4-bromo-1-methyl-10-oxoanthracen-9-ylidene)-1-phenylbutane-1,3-dione
CID 71182665
5-bromo-8-methyl-2,3-dihydrochromen-4-one
CID 103693810
5-chloro-1,4-dimethylanthracene-9,10-dione
CID 141467229
1,4-dimethyl-5,8-dipyrrolidin-1-ylanthracene-9,10-dione
CID 11760543
1,5-dibromo-4-(dimethylamino)anthracene-9,10-dione
CID 70563068
2-(2-bromo-5-fluorophenyl)-4,7-dimethylisoindole-1,3-dione
CID 107640958

Frequently Asked Questions

What is the IUPAC name of 1,5-dibromo-4,8-dimethylanthracene-9,10-dione?
The IUPAC name of 1,5-dibromo-4,8-dimethylanthracene-9,10-dione (CID 158328255) is 1,5-dibromo-4,8-dimethylanthracene-9,10-dione.
What is the SMILES notation for 1,5-dibromo-4,8-dimethylanthracene-9,10-dione?
The canonical SMILES for 1,5-dibromo-4,8-dimethylanthracene-9,10-dione is Cc1ccc(Br)c2c1C(=O)c1c(Br)ccc(C)c1C2=O.
What is the InChIKey of 1,5-dibromo-4,8-dimethylanthracene-9,10-dione?
The InChIKey is AEJWHEHNPJLLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Br2O2/c1-7-3-5-9(17)13-11(7)15(19)14-10(18)6-4-8(2)12(14)16(13)20/h3-6H,1-2H3.
What are the key properties of 1,5-dibromo-4,8-dimethylanthracene-9,10-dione?
1,5-dibromo-4,8-dimethylanthracene-9,10-dione has a molecular weight of 394.06 g/mol, XLogP of 4.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromo-4,8-dimethylanthracene-9,10-dione is sourced from PubChem (CID 158328255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).