[4-(4-methylphenyl)benzoyl]-(3-phenylbutan-2-ylidene)oxidanium

C24H23O2+ — CID 123972442

IUPAC[4-(4-methylphenyl)benzoyl]-(3-phenylbutan-2-ylidene)oxidanium
SMILESC/C(=[O+]\C(=O)c1ccc(-c2ccc(C)cc2)cc1)C(C)c1ccccc1
InChIInChI=1S/C24H23O2/c1-17-9-11-21(12-10-17)22-13-15-23(16-14-22)24(25)26-19(3)18(2)20-7-5-4-6-8-20/h4-16,18H,1-3H3/q+1
InChIKeyUJTCXOWFZFTZQJ-UHFFFAOYSA-N
MW343.45 g/mol
LogP5.73
Rot. Bonds4

About [4-(4-methylphenyl)benzoyl]-(3-phenylbutan-2-ylidene)oxidanium

[4-(4-methylphenyl)benzoyl]-(3-phenylbutan-2-ylidene)oxidanium (PubChem CID 123972442) has the molecular formula C24H23O2+ and a molecular weight of 343.45 g/mol. Its IUPAC name is [4-(4-methylphenyl)benzoyl]-(3-phenylbutan-2-ylidene)oxidanium.

Molecular Properties

Compound Name[4-(4-methylphenyl)benzoyl]-(3-phenylbutan-2-ylidene)oxidanium
PubChem CID123972442
Molecular FormulaC24H23O2+
Molecular Weight343.45 g/mol
Exact Mass343.17
IUPAC Name[4-(4-methylphenyl)benzoyl]-(3-phenylbutan-2-ylidene)oxidanium
SMILESC/C(=[O+]\C(=O)c1ccc(-c2ccc(C)cc2)cc1)C(C)c1ccccc1
InChIInChI=1S/C24H23O2/c1-17-9-11-21(12-10-17)22-13-15-23(16-14-22)24(25)26-19(3)18(2)20-7-5-4-6-8-20/h4-16,18H,1-3H3/q+1
InChIKeyUJTCXOWFZFTZQJ-UHFFFAOYSA-N
XLogP5.73
TPSA28.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.45
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenyl)benzoyl]-(3-phenylbutan-2-ylidene)oxidanium?
The IUPAC name of [4-(4-methylphenyl)benzoyl]-(3-phenylbutan-2-ylidene)oxidanium (CID 123972442) is [4-(4-methylphenyl)benzoyl]-(3-phenylbutan-2-ylidene)oxidanium.
What is the SMILES notation for [4-(4-methylphenyl)benzoyl]-(3-phenylbutan-2-ylidene)oxidanium?
The canonical SMILES for [4-(4-methylphenyl)benzoyl]-(3-phenylbutan-2-ylidene)oxidanium is C/C(=[O+]\C(=O)c1ccc(-c2ccc(C)cc2)cc1)C(C)c1ccccc1.
What is the InChIKey of [4-(4-methylphenyl)benzoyl]-(3-phenylbutan-2-ylidene)oxidanium?
The InChIKey is UJTCXOWFZFTZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23O2/c1-17-9-11-21(12-10-17)22-13-15-23(16-14-22)24(25)26-19(3)18(2)20-7-5-4-6-8-20/h4-16,18H,1-3H3/q+1.
What are the key properties of [4-(4-methylphenyl)benzoyl]-(3-phenylbutan-2-ylidene)oxidanium?
[4-(4-methylphenyl)benzoyl]-(3-phenylbutan-2-ylidene)oxidanium has a molecular weight of 343.45 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenyl)benzoyl]-(3-phenylbutan-2-ylidene)oxidanium is sourced from PubChem (CID 123972442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).