3-(2,4-dimethyl-3-prop-2-enylphenyl)-1-phenylprop-2-en-1-one

C20H20O — CID 174912538

IUPAC3-(2,4-dimethyl-3-prop-2-enylphenyl)-1-phenylprop-2-en-1-one
SMILESC=CCc1c(C)ccc(C=CC(=O)c2ccccc2)c1C
InChIInChI=1S/C20H20O/c1-4-8-19-15(2)11-12-17(16(19)3)13-14-20(21)18-9-6-5-7-10-18/h4-7,9-14H,1,8H2,2-3H3
InChIKeyBTUVNYPSLYFKOY-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.93
Rot. Bonds5

About 3-(2,4-dimethyl-3-prop-2-enylphenyl)-1-phenylprop-2-en-1-one

3-(2,4-dimethyl-3-prop-2-enylphenyl)-1-phenylprop-2-en-1-one (PubChem CID 174912538) has the molecular formula C20H20O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(2,4-dimethyl-3-prop-2-enylphenyl)-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name3-(2,4-dimethyl-3-prop-2-enylphenyl)-1-phenylprop-2-en-1-one
PubChem CID174912538
Molecular FormulaC20H20O
Molecular Weight276.38 g/mol
Exact Mass276.15
IUPAC Name3-(2,4-dimethyl-3-prop-2-enylphenyl)-1-phenylprop-2-en-1-one
SMILESC=CCc1c(C)ccc(C=CC(=O)c2ccccc2)c1C
InChIInChI=1S/C20H20O/c1-4-8-19-15(2)11-12-17(16(19)3)13-14-20(21)18-9-6-5-7-10-18/h4-7,9-14H,1,8H2,2-3H3
InChIKeyBTUVNYPSLYFKOY-UHFFFAOYSA-N
XLogP4.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(2,4-dimethyl-3-prop-2-enylphenyl)-1-phenylprop-2-en-1-one 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

3-(2-ethenylphenyl)-1-phenylprop-2-en-1-one
CID 68920367
3-(2-hydroxy-4-methylphenyl)-1-phenylprop-2-en-1-one
CID 67082787
(E)-3-[2-[bis(prop-2-enyl)amino]phenyl]-1-phenylprop-2-en-1-one
CID 70278104
(E)-3-(2-methylphenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 19564974
3-(3-amino-4-methylphenyl)-1-phenylprop-2-en-1-one
CID 57146886
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
1,3-diphenylprop-2-en-1-one;ethanol
CID 146424659
(2E)-1-phenylhepta-2,6-dien-1-one
CID 12950359
3-[2-methyl-3-(2H-triazol-4-yl)phenyl]-1-phenylprop-2-en-1-one
CID 172654092
methanamine;1-phenylprop-2-en-1-one
CID 91395058
(Z)-3-(4-methylphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 12643319
1,3-diphenylprop-2-en-1-one;1H-pyrrole
CID 70390442

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-3-prop-2-enylphenyl)-1-phenylprop-2-en-1-one?
The IUPAC name of 3-(2,4-dimethyl-3-prop-2-enylphenyl)-1-phenylprop-2-en-1-one (CID 174912538) is 3-(2,4-dimethyl-3-prop-2-enylphenyl)-1-phenylprop-2-en-1-one.
What is the SMILES notation for 3-(2,4-dimethyl-3-prop-2-enylphenyl)-1-phenylprop-2-en-1-one?
The canonical SMILES for 3-(2,4-dimethyl-3-prop-2-enylphenyl)-1-phenylprop-2-en-1-one is C=CCc1c(C)ccc(C=CC(=O)c2ccccc2)c1C.
What is the InChIKey of 3-(2,4-dimethyl-3-prop-2-enylphenyl)-1-phenylprop-2-en-1-one?
The InChIKey is BTUVNYPSLYFKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O/c1-4-8-19-15(2)11-12-17(16(19)3)13-14-20(21)18-9-6-5-7-10-18/h4-7,9-14H,1,8H2,2-3H3.
What are the key properties of 3-(2,4-dimethyl-3-prop-2-enylphenyl)-1-phenylprop-2-en-1-one?
3-(2,4-dimethyl-3-prop-2-enylphenyl)-1-phenylprop-2-en-1-one has a molecular weight of 276.38 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-3-prop-2-enylphenyl)-1-phenylprop-2-en-1-one is sourced from PubChem (CID 174912538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).