2-propylanthracene-9,10-dione

C17H14O2 — CID 22643716

IUPAC2-propylanthracene-9,10-dione
SMILESCCCc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C17H14O2/c1-2-5-11-8-9-14-15(10-11)17(19)13-7-4-3-6-12(13)16(14)18/h3-4,6-10H,2,5H2,1H3
InChIKeyZPQUFYIADDJOEF-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.41
Rot. Bonds2

About 2-propylanthracene-9,10-dione

2-propylanthracene-9,10-dione (PubChem CID 22643716) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-propylanthracene-9,10-dione.

Molecular Properties

Compound Name2-propylanthracene-9,10-dione
PubChem CID22643716
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name2-propylanthracene-9,10-dione
SMILESCCCc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C17H14O2/c1-2-5-11-8-9-14-15(10-11)17(19)13-7-4-3-6-12(13)16(14)18/h3-4,6-10H,2,5H2,1H3
InChIKeyZPQUFYIADDJOEF-UHFFFAOYSA-N
XLogP3.41
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-propylanthracene-9,10-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-octylanthracene-9,10-dione
CID 141254876
2-methyl-7-propylanthracene-9,10-dione
CID 118026365
3-ethylfluoren-9-one
CID 11344805
2-pentylanthracene-9,10-dione;triphenylphosphane
CID 159934357
2,6-diethylanthracene-9,10-dione
CID 130464580
2-(4,8-dimethylnonyl)-7-propylanthracene-9,10-dione
CID 134297767
anthracene-9,10-dione;1-chloroanthracene-9,10-dione;2-pentylanthracene-9,10-dione
CID 174787165
2-(2-nitroethyl)anthracene-9,10-dione
CID 175558730
2-ethylanthracene-9,10-dione;1,2,3,4,5,6,7,8-octamethylanthracene-9,10-dione
CID 69114392
anthracene-9,10-dione;propane
CID 162068050
2-(aminooxymethyl)anthracene-9,10-dione
CID 11402535
dimethyl 2,2-bis[(9,10-dioxoanthracen-2-yl)methyl]propanedioate
CID 4660560

Frequently Asked Questions

What is the IUPAC name of 2-propylanthracene-9,10-dione?
The IUPAC name of 2-propylanthracene-9,10-dione (CID 22643716) is 2-propylanthracene-9,10-dione.
What is the SMILES notation for 2-propylanthracene-9,10-dione?
The canonical SMILES for 2-propylanthracene-9,10-dione is CCCc1ccc2c(c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-propylanthracene-9,10-dione?
The InChIKey is ZPQUFYIADDJOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2/c1-2-5-11-8-9-14-15(10-11)17(19)13-7-4-3-6-12(13)16(14)18/h3-4,6-10H,2,5H2,1H3.
What are the key properties of 2-propylanthracene-9,10-dione?
2-propylanthracene-9,10-dione has a molecular weight of 250.30 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylanthracene-9,10-dione is sourced from PubChem (CID 22643716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).