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

C20H22O — CID 19557392

IUPAC(E)-3-(4-ethylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one
SMILESCCc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C20H22O/c1-4-16-5-7-17(8-6-16)9-14-20(21)19-12-10-18(11-13-19)15(2)3/h5-15H,4H2,1-3H3/b14-9+
InChIKeyHBVXHDZZYAEDSC-NTEUORMPSA-N
MW278.39 g/mol
LogP5.27
Rot. Bonds5

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

(E)-3-(4-ethylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one (PubChem CID 19557392) has the molecular formula C20H22O and a molecular weight of 278.39 g/mol. Its IUPAC name is (E)-3-(4-ethylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-ethylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one
PubChem CID19557392
Molecular FormulaC20H22O
Molecular Weight278.39 g/mol
Exact Mass278.17
IUPAC Name(E)-3-(4-ethylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one
SMILESCCc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C20H22O/c1-4-16-5-7-17(8-6-16)9-14-20(21)19-12-10-18(11-13-19)15(2)3/h5-15H,4H2,1-3H3/b14-9+
InChIKeyHBVXHDZZYAEDSC-NTEUORMPSA-N
XLogP5.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.39
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3-(4-ethylphenyl)-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

(E)-1-(4-hydroxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 6144622
4-[(E)-3-(4-ethylphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 9448299
(E)-1-(4-bromophenyl)-3-(4-ethylphenyl)prop-2-en-1-one
CID 19541409
(E)-1-(4-tert-butylphenyl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 39440500
(E)-3-(4-tert-butylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 19557389
1-(4-ethylphenyl)-3-pyridin-4-ylprop-2-en-1-one
CID 3307819
(2R)-2-[4-[(Z)-3-(4-ethylphenyl)prop-2-enoyl]phenoxy]propanoic acid
CID 92932031
(E)-1-[4-(2-methylpropyl)phenyl]-3-[4-[(E)-3-[4-(2-methylpropyl)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 21040458
N-[4-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]acetamide
CID 91823894
(E)-3-(4-ethylphenyl)-1-naphthalen-2-ylprop-2-en-1-one
CID 19561296
(Z)-1-naphthalen-2-yl-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 92908632
2-[4-[(E)-3-(4-ethylphenyl)prop-2-enoyl]phenoxy]acetic acid
CID 7973015

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-ethylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(4-ethylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one (CID 19557392) is (E)-3-(4-ethylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-ethylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(4-ethylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one is CCc1ccc(/C=C/C(=O)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of (E)-3-(4-ethylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one?
The InChIKey is HBVXHDZZYAEDSC-NTEUORMPSA-N. The full InChI is InChI=1S/C20H22O/c1-4-16-5-7-17(8-6-16)9-14-20(21)19-12-10-18(11-13-19)15(2)3/h5-15H,4H2,1-3H3/b14-9+.
What are the key properties of (E)-3-(4-ethylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one?
(E)-3-(4-ethylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one has a molecular weight of 278.39 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-ethylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one is sourced from PubChem (CID 19557392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).