2-ethyl-3-methyl-1-phenylanthracene-9,10-dione

C23H18O2 — CID 139627277

IUPAC2-ethyl-3-methyl-1-phenylanthracene-9,10-dione
SMILESCCc1c(C)cc2c(c1-c1ccccc1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C23H18O2/c1-3-16-14(2)13-19-21(20(16)15-9-5-4-6-10-15)23(25)18-12-8-7-11-17(18)22(19)24/h4-13H,3H2,1-2H3
InChIKeyIPOIVABJELMLKH-UHFFFAOYSA-N
MW326.39 g/mol
LogP5.00
Rot. Bonds2

About 2-ethyl-3-methyl-1-phenylanthracene-9,10-dione

2-ethyl-3-methyl-1-phenylanthracene-9,10-dione (PubChem CID 139627277) has the molecular formula C23H18O2 and a molecular weight of 326.39 g/mol. Its IUPAC name is 2-ethyl-3-methyl-1-phenylanthracene-9,10-dione.

Molecular Properties

Compound Name2-ethyl-3-methyl-1-phenylanthracene-9,10-dione
PubChem CID139627277
Molecular FormulaC23H18O2
Molecular Weight326.39 g/mol
Exact Mass326.13
IUPAC Name2-ethyl-3-methyl-1-phenylanthracene-9,10-dione
SMILESCCc1c(C)cc2c(c1-c1ccccc1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C23H18O2/c1-3-16-14(2)13-19-21(20(16)15-9-5-4-6-10-15)23(25)18-12-8-7-11-17(18)22(19)24/h4-13H,3H2,1-2H3
InChIKeyIPOIVABJELMLKH-UHFFFAOYSA-N
XLogP5.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 55.00
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

1,2-diethyl-3,4,5,6-tetraphenylbenzene
CID 58012801
2-ethyl-1,8-dihydroxy-3-methylanthracene-9,10-dione
CID 22833213
1,4-dimethylanthracene-9,10-dione;2,3-dimethylanthracene-9,10-dione
CID 158117057
1,3-diethylanthracene-9,10-dione
CID 22321054
anthracene-9,10-dione;propane
CID 162068050
3-amino-1-methylanthracene-9,10-dione
CID 15716485
2,3-diphenylfluoren-9-one
CID 102493574
anthracene-9,10-dione;1-methylanthracene-9,10-dione
CID 158636797
9-oxo-1,4-diphenylfluorene-3-carboxylic acid
CID 141295557
3-phenyl-2H-benzo[g]isoquinoline-1,5,10-trione
CID 101485547
1-ethyl-2,3,4,5-tetramethyl-6-phenylbenzene
CID 140985823
2-ethyl-1,3,7-trimethylfluoren-9-one
CID 101404814

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-1-phenylanthracene-9,10-dione?
The IUPAC name of 2-ethyl-3-methyl-1-phenylanthracene-9,10-dione (CID 139627277) is 2-ethyl-3-methyl-1-phenylanthracene-9,10-dione.
What is the SMILES notation for 2-ethyl-3-methyl-1-phenylanthracene-9,10-dione?
The canonical SMILES for 2-ethyl-3-methyl-1-phenylanthracene-9,10-dione is CCc1c(C)cc2c(c1-c1ccccc1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-ethyl-3-methyl-1-phenylanthracene-9,10-dione?
The InChIKey is IPOIVABJELMLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O2/c1-3-16-14(2)13-19-21(20(16)15-9-5-4-6-10-15)23(25)18-12-8-7-11-17(18)22(19)24/h4-13H,3H2,1-2H3.
What are the key properties of 2-ethyl-3-methyl-1-phenylanthracene-9,10-dione?
2-ethyl-3-methyl-1-phenylanthracene-9,10-dione has a molecular weight of 326.39 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-1-phenylanthracene-9,10-dione is sourced from PubChem (CID 139627277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).