10-(2-oxo-1-phenylbutylidene)anthracen-9-one

C24H18O2 — CID 59672042

IUPAC10-(2-oxo-1-phenylbutylidene)anthracen-9-one
SMILESCCC(=O)C(=C1c2ccccc2C(=O)c2ccccc21)c1ccccc1
InChIInChI=1S/C24H18O2/c1-2-21(25)22(16-10-4-3-5-11-16)23-17-12-6-8-14-19(17)24(26)20-15-9-7-13-18(20)23/h3-15H,2H2,1H3
InChIKeyZRKIFLNOPHKZCT-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.17
Rot. Bonds3

About 10-(2-oxo-1-phenylbutylidene)anthracen-9-one

10-(2-oxo-1-phenylbutylidene)anthracen-9-one (PubChem CID 59672042) has the molecular formula C24H18O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 10-(2-oxo-1-phenylbutylidene)anthracen-9-one.

Molecular Properties

Compound Name10-(2-oxo-1-phenylbutylidene)anthracen-9-one
PubChem CID59672042
Molecular FormulaC24H18O2
Molecular Weight338.41 g/mol
Exact Mass338.13
IUPAC Name10-(2-oxo-1-phenylbutylidene)anthracen-9-one
SMILESCCC(=O)C(=C1c2ccccc2C(=O)c2ccccc21)c1ccccc1
InChIInChI=1S/C24H18O2/c1-2-21(25)22(16-10-4-3-5-11-16)23-17-12-6-8-14-19(17)24(26)20-15-9-7-13-18(20)23/h3-15H,2H2,1H3
InChIKeyZRKIFLNOPHKZCT-UHFFFAOYSA-N
XLogP5.17
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

anthracene-9,10-dione;propane
CID 162068050
tris(fluoren-9-one);methane;methanol;propane
CID 158940113
1,2-diphenylethane-1,2-dione;phenanthrene-9,10-dione
CID 175371588
anthracene-9,10-dione;carbamic acid
CID 70556478
ethyl (2E)-2-(10-oxophenanthren-9-ylidene)butanoate
CID 10447867
anthracene-9,10-dione;carbonochloridic acid
CID 88712965
2-ethylanthracene-9,10-dione;phenyl-(4-phenylphenyl)methanone
CID 158395442
1-phenyl(111C)propan-1-one
CID 11159350
tribenzoyl(ethyl)phosphanium
CID 67361318
ethane;bis(fluoren-9-one);methanol
CID 162250310
(1E)-1-(4,4-dimethylpyrrolidin-2-ylidene)-1-phenylbutan-2-one
CID 177463586
10-(1-oxo-1,4-diphenylbut-3-yn-2-ylidene)anthracen-9-one
CID 59672047

Frequently Asked Questions

What is the IUPAC name of 10-(2-oxo-1-phenylbutylidene)anthracen-9-one?
The IUPAC name of 10-(2-oxo-1-phenylbutylidene)anthracen-9-one (CID 59672042) is 10-(2-oxo-1-phenylbutylidene)anthracen-9-one.
What is the SMILES notation for 10-(2-oxo-1-phenylbutylidene)anthracen-9-one?
The canonical SMILES for 10-(2-oxo-1-phenylbutylidene)anthracen-9-one is CCC(=O)C(=C1c2ccccc2C(=O)c2ccccc21)c1ccccc1.
What is the InChIKey of 10-(2-oxo-1-phenylbutylidene)anthracen-9-one?
The InChIKey is ZRKIFLNOPHKZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O2/c1-2-21(25)22(16-10-4-3-5-11-16)23-17-12-6-8-14-19(17)24(26)20-15-9-7-13-18(20)23/h3-15H,2H2,1H3.
What are the key properties of 10-(2-oxo-1-phenylbutylidene)anthracen-9-one?
10-(2-oxo-1-phenylbutylidene)anthracen-9-one has a molecular weight of 338.41 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-oxo-1-phenylbutylidene)anthracen-9-one is sourced from PubChem (CID 59672042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).