(E)-1-(2,4-dichlorophenyl)-3-(4-ethylphenyl)prop-2-en-1-one

C17H14Cl2O — CID 19564738

IUPAC(E)-1-(2,4-dichlorophenyl)-3-(4-ethylphenyl)prop-2-en-1-one
SMILESCCc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H14Cl2O/c1-2-12-3-5-13(6-4-12)7-10-17(20)15-9-8-14(18)11-16(15)19/h3-11H,2H2,1H3/b10-7+
InChIKeyYVFRTOCVSCAYKR-JXMROGBWSA-N
MW305.20 g/mol
LogP5.45
Rot. Bonds4

About (E)-1-(2,4-dichlorophenyl)-3-(4-ethylphenyl)prop-2-en-1-one

(E)-1-(2,4-dichlorophenyl)-3-(4-ethylphenyl)prop-2-en-1-one (PubChem CID 19564738) has the molecular formula C17H14Cl2O and a molecular weight of 305.20 g/mol. Its IUPAC name is (E)-1-(2,4-dichlorophenyl)-3-(4-ethylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2,4-dichlorophenyl)-3-(4-ethylphenyl)prop-2-en-1-one
PubChem CID19564738
Molecular FormulaC17H14Cl2O
Molecular Weight305.20 g/mol
Exact Mass304.04
IUPAC Name(E)-1-(2,4-dichlorophenyl)-3-(4-ethylphenyl)prop-2-en-1-one
SMILESCCc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H14Cl2O/c1-2-12-3-5-13(6-4-12)7-10-17(20)15-9-8-14(18)11-16(15)19/h3-11H,2H2,1H3/b10-7+
InChIKeyYVFRTOCVSCAYKR-JXMROGBWSA-N
XLogP5.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.20
LogP ≤ 55.45
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-(2,5-dichlorophenyl)-3-(4-ethylphenyl)prop-2-en-1-one
CID 78574913
4-[3-(2,4-dichlorophenyl)-3-oxoprop-1-enyl]benzoic acid
CID 5227575
1-(2,4-dichlorophenyl)-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one
CID 4555105
1-(2,4-dichlorophenyl)-3-(3-fluorophenyl)prop-2-en-1-one
CID 5025678
3-(4-ethylphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one
CID 163408612
(E)-1-(2,4-dichlorophenyl)-3-(1-ethylpyrazol-4-yl)prop-2-en-1-one
CID 19562963
(E)-1-(2,4-dichlorophenyl)-3-ethoxyprop-2-en-1-one
CID 60869996
1-(2,5-dichlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 78574904
1-(2,4-dichlorophenyl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one
CID 3396457
1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 78574899
1-(2,4-dichlorophenyl)-3-(2-methylphenyl)prop-2-en-1-one
CID 3633437
1-(2,4-dichlorophenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-en-1-one
CID 4774258

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,4-dichlorophenyl)-3-(4-ethylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(2,4-dichlorophenyl)-3-(4-ethylphenyl)prop-2-en-1-one (CID 19564738) is (E)-1-(2,4-dichlorophenyl)-3-(4-ethylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2,4-dichlorophenyl)-3-(4-ethylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(2,4-dichlorophenyl)-3-(4-ethylphenyl)prop-2-en-1-one is CCc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of (E)-1-(2,4-dichlorophenyl)-3-(4-ethylphenyl)prop-2-en-1-one?
The InChIKey is YVFRTOCVSCAYKR-JXMROGBWSA-N. The full InChI is InChI=1S/C17H14Cl2O/c1-2-12-3-5-13(6-4-12)7-10-17(20)15-9-8-14(18)11-16(15)19/h3-11H,2H2,1H3/b10-7+.
What are the key properties of (E)-1-(2,4-dichlorophenyl)-3-(4-ethylphenyl)prop-2-en-1-one?
(E)-1-(2,4-dichlorophenyl)-3-(4-ethylphenyl)prop-2-en-1-one has a molecular weight of 305.20 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,4-dichlorophenyl)-3-(4-ethylphenyl)prop-2-en-1-one is sourced from PubChem (CID 19564738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).