(E)-3-(2-methylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one

C19H20O — CID 19557241

IUPAC(E)-3-(2-methylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one
SMILESCc1ccccc1/C=C/C(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H20O/c1-14(2)16-8-10-18(11-9-16)19(20)13-12-17-7-5-4-6-15(17)3/h4-14H,1-3H3/b13-12+
InChIKeyZCEAUNIJLFSEDY-OUKQBFOZSA-N
MW264.37 g/mol
LogP5.01
Rot. Bonds4

About (E)-3-(2-methylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one

(E)-3-(2-methylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one (PubChem CID 19557241) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is (E)-3-(2-methylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2-methylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one
PubChem CID19557241
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name(E)-3-(2-methylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one
SMILESCc1ccccc1/C=C/C(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C19H20O/c1-14(2)16-8-10-18(11-9-16)19(20)13-12-17-7-5-4-6-15(17)3/h4-14H,1-3H3/b13-12+
InChIKeyZCEAUNIJLFSEDY-OUKQBFOZSA-N
XLogP5.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.37
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3-(2-methylphenyl)-1-(4-propan-2-ylphenyl)prop-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

1-(4-aminophenyl)-3-(2-methylphenyl)prop-2-en-1-one
CID 53405740
1-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-en-1-one
CID 5240637
(E)-3-(2-methylphenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 19564974
(E)-1-(4-bromophenyl)-3-(2-methylphenyl)prop-2-en-1-one
CID 6244990
1-[4-[(E)-3-(2-methylphenyl)prop-2-enoyl]phenyl]-3-propan-2-ylurea
CID 43071488
(E)-1-(4-propan-2-ylphenyl)-3-quinolin-4-ylprop-2-en-1-one
CID 19557372
(E)-1,3-bis(2-methylphenyl)prop-2-en-1-one;ethane
CID 91348083
(E)-1-(4-hydroxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 6144622
1-[4-[3-(dimethylamino)propyl]phenyl]-3-(2-methylphenyl)prop-2-en-1-one
CID 54292317
(E)-3-(2,3-dimethylanilino)-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 46858478
3-hydroxy-3-phenyl-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 3102941
(Z)-1-naphthalen-2-yl-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 92908632

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(2-methylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one (CID 19557241) is (E)-3-(2-methylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(2-methylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(2-methylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one is Cc1ccccc1/C=C/C(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of (E)-3-(2-methylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one?
The InChIKey is ZCEAUNIJLFSEDY-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H20O/c1-14(2)16-8-10-18(11-9-16)19(20)13-12-17-7-5-4-6-15(17)3/h4-14H,1-3H3/b13-12+.
What are the key properties of (E)-3-(2-methylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one?
(E)-3-(2-methylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one has a molecular weight of 264.37 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one is sourced from PubChem (CID 19557241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).