5-chloro-1,4-dimethylanthracene-9,10-dione

C16H11ClO2 — CID 141467229

IUPAC5-chloro-1,4-dimethylanthracene-9,10-dione
SMILESCc1ccc(C)c2c1C(=O)c1cccc(Cl)c1C2=O
InChIInChI=1S/C16H11ClO2/c1-8-6-7-9(2)13-12(8)15(18)10-4-3-5-11(17)14(10)16(13)19/h3-7H,1-2H3
InChIKeyOSKLKLLHIDITGY-UHFFFAOYSA-N
MW270.71 g/mol
LogP3.73
Rot. Bonds

About 5-chloro-1,4-dimethylanthracene-9,10-dione

5-chloro-1,4-dimethylanthracene-9,10-dione (PubChem CID 141467229) has the molecular formula C16H11ClO2 and a molecular weight of 270.71 g/mol. Its IUPAC name is 5-chloro-1,4-dimethylanthracene-9,10-dione.

Molecular Properties

Compound Name5-chloro-1,4-dimethylanthracene-9,10-dione
PubChem CID141467229
Molecular FormulaC16H11ClO2
Molecular Weight270.71 g/mol
Exact Mass270.04
IUPAC Name5-chloro-1,4-dimethylanthracene-9,10-dione
SMILESCc1ccc(C)c2c1C(=O)c1cccc(Cl)c1C2=O
InChIInChI=1S/C16H11ClO2/c1-8-6-7-9(2)13-12(8)15(18)10-4-3-5-11(17)14(10)16(13)19/h3-7H,1-2H3
InChIKeyOSKLKLLHIDITGY-UHFFFAOYSA-N
XLogP3.73
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.71
LogP ≤ 53.73
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-chloro-5-hydroxyanthracene-9,10-dione
CID 12631756
1,5-dichloro-10-methylideneanthracen-9-one
CID 13129777
1-amino-5-chloro-2-methoxyanthracene-9,10-dione
CID 154329487
anthracene-9,10-dione;1-methylanthracene-9,10-dione
CID 158636797
1,2-dichloro-3-(2-chloro-6-methylphenyl)benzene
CID 66251613
4,6,10,12-tetrachlorotetracene-5,11-dione
CID 70840909
1-chloro-10-methylideneanthracen-9-one
CID 154097913
anthracene-9,10-dione;1-chloroanthracene-9,10-dione;2-chloroanthracene-9,10-dione;ethane;2-methylanthracene-9,10-dione
CID 174912168
1-chloro-5-(pentylamino)anthracene-9,10-dione
CID 70610528
2,3-dibromo-5-methylnaphthalene-1,4-dione
CID 11759292
1-hydroxy-5-methylanthracene-9,10-dione
CID 10490094
1,4-dimethylanthracene-9,10-dione;2,3-dimethylanthracene-9,10-dione
CID 158117057

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,4-dimethylanthracene-9,10-dione?
The IUPAC name of 5-chloro-1,4-dimethylanthracene-9,10-dione (CID 141467229) is 5-chloro-1,4-dimethylanthracene-9,10-dione.
What is the SMILES notation for 5-chloro-1,4-dimethylanthracene-9,10-dione?
The canonical SMILES for 5-chloro-1,4-dimethylanthracene-9,10-dione is Cc1ccc(C)c2c1C(=O)c1cccc(Cl)c1C2=O.
What is the InChIKey of 5-chloro-1,4-dimethylanthracene-9,10-dione?
The InChIKey is OSKLKLLHIDITGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClO2/c1-8-6-7-9(2)13-12(8)15(18)10-4-3-5-11(17)14(10)16(13)19/h3-7H,1-2H3.
What are the key properties of 5-chloro-1,4-dimethylanthracene-9,10-dione?
5-chloro-1,4-dimethylanthracene-9,10-dione has a molecular weight of 270.71 g/mol, XLogP of 3.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,4-dimethylanthracene-9,10-dione is sourced from PubChem (CID 141467229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).