5-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-1-phenylpent-1-en-3-one

C26H26O — CID 175806299

IUPAC5-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-1-phenylpent-1-en-3-one
SMILESCc1ccc(CC(Cc2ccc(C)cc2)C(=O)C=Cc2ccccc2)cc1
InChIInChI=1S/C26H26O/c1-20-8-12-23(13-9-20)18-25(19-24-14-10-21(2)11-15-24)26(27)17-16-22-6-4-3-5-7-22/h3-17,25H,18-19H2,1-2H3
InChIKeyCAZCPHHFQLSKCI-UHFFFAOYSA-N
MW354.49 g/mol
LogP5.99
Rot. Bonds7

About 5-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-1-phenylpent-1-en-3-one

5-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-1-phenylpent-1-en-3-one (PubChem CID 175806299) has the molecular formula C26H26O and a molecular weight of 354.49 g/mol. Its IUPAC name is 5-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-1-phenylpent-1-en-3-one.

Molecular Properties

Compound Name5-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-1-phenylpent-1-en-3-one
PubChem CID175806299
Molecular FormulaC26H26O
Molecular Weight354.49 g/mol
Exact Mass354.20
IUPAC Name5-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-1-phenylpent-1-en-3-one
SMILESCc1ccc(CC(Cc2ccc(C)cc2)C(=O)C=Cc2ccccc2)cc1
InChIInChI=1S/C26H26O/c1-20-8-12-23(13-9-20)18-25(19-24-14-10-21(2)11-15-24)26(27)17-16-22-6-4-3-5-7-22/h3-17,25H,18-19H2,1-2H3
InChIKeyCAZCPHHFQLSKCI-UHFFFAOYSA-N
XLogP5.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.49
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxy-1-(4-methylphenyl)-4-phenylbut-3-en-2-one
CID 4661079
(1E,4E)-1-(4-methylphenyl)-5-phenylpenta-1,4-dien-3-one
CID 6175900
4-(aminomethyl)-1-phenylhex-1-en-3-one
CID 174415908
(E,4R)-4-hydroxy-5-(4-hydroxyphenyl)-1-phenylpent-1-en-3-one
CID 163942767
(E)-2-[bis(ethylsulfanyl)methyl]-5-(4-methylphenyl)-1-phenylpent-4-ene-1,3-dione
CID 102511754
(E)-5-(4-methylphenyl)-1-phenylhex-1-en-3-one
CID 6073038
(E)-4-fluoro-1-phenylpent-1-en-3-one
CID 164677372
(1E,6E)-4-[(1S)-1-(4-methylphenyl)-2-nitroethyl]-1,7-diphenylhepta-1,6-diene-3,5-dione
CID 53349025
(E)-4-[(dimethylamino)methyl]-1-phenyloct-1-en-3-one;hydrochloride
CID 6515068
(E,4S)-4-hydroxy-1-phenyloct-1-en-3-one
CID 100976642
2-(iodomethyl)-3-(4-methylphenyl)propanoic acid
CID 11779777
trimethyl-[2-[(E)-3-phenylprop-2-enoyl]heptyl]azanium iodide
CID 44655272

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-1-phenylpent-1-en-3-one?
The IUPAC name of 5-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-1-phenylpent-1-en-3-one (CID 175806299) is 5-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-1-phenylpent-1-en-3-one.
What is the SMILES notation for 5-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-1-phenylpent-1-en-3-one?
The canonical SMILES for 5-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-1-phenylpent-1-en-3-one is Cc1ccc(CC(Cc2ccc(C)cc2)C(=O)C=Cc2ccccc2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-1-phenylpent-1-en-3-one?
The InChIKey is CAZCPHHFQLSKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O/c1-20-8-12-23(13-9-20)18-25(19-24-14-10-21(2)11-15-24)26(27)17-16-22-6-4-3-5-7-22/h3-17,25H,18-19H2,1-2H3.
What are the key properties of 5-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-1-phenylpent-1-en-3-one?
5-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-1-phenylpent-1-en-3-one has a molecular weight of 354.49 g/mol, XLogP of 5.99, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-4-[(4-methylphenyl)methyl]-1-phenylpent-1-en-3-one is sourced from PubChem (CID 175806299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).