1-(2,5-dichlorophenyl)-3-(2-ethoxyphenyl)prop-2-en-1-one

C17H14Cl2O2 — CID 131632720

IUPAC1-(2,5-dichlorophenyl)-3-(2-ethoxyphenyl)prop-2-en-1-one
SMILESCCOc1ccccc1C=CC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H14Cl2O2/c1-2-21-17-6-4-3-5-12(17)7-10-16(20)14-11-13(18)8-9-15(14)19/h3-11H,2H2,1H3
InChIKeyZGWXGNITEHTNEW-UHFFFAOYSA-N
MW321.20 g/mol
LogP5.29
Rot. Bonds5

About 1-(2,5-dichlorophenyl)-3-(2-ethoxyphenyl)prop-2-en-1-one

1-(2,5-dichlorophenyl)-3-(2-ethoxyphenyl)prop-2-en-1-one (PubChem CID 131632720) has the molecular formula C17H14Cl2O2 and a molecular weight of 321.20 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-(2-ethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-(2-ethoxyphenyl)prop-2-en-1-one
PubChem CID131632720
Molecular FormulaC17H14Cl2O2
Molecular Weight321.20 g/mol
Exact Mass320.04
IUPAC Name1-(2,5-dichlorophenyl)-3-(2-ethoxyphenyl)prop-2-en-1-one
SMILESCCOc1ccccc1C=CC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H14Cl2O2/c1-2-21-17-6-4-3-5-12(17)7-10-16(20)14-11-13(18)8-9-15(14)19/h3-11H,2H2,1H3
InChIKeyZGWXGNITEHTNEW-UHFFFAOYSA-N
XLogP5.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.20
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(2-ethoxyphenyl)prop-2-en-1-one
CID 154726872
(E)-3-(2-chlorophenyl)-1-(2,5-dichlorophenyl)prop-2-en-1-one
CID 7947559
(E)-1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 7947579
(E)-3-(2-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 39369360
(E)-3-(5-chloro-2-ethoxyphenyl)prop-2-enoyl chloride
CID 82041781
(E)-3-(2-ethoxyphenyl)-1-(3-ethyl-4-pyridinyl)prop-2-en-1-one
CID 75395982
1-(2,5-dichlorophenyl)-3-ethoxyprop-2-en-1-one
CID 76951460
3-(2-ethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 78787127
(E)-3-(2-ethoxyphenyl)-1-(5-methylthiophen-2-yl)prop-2-en-1-one
CID 60503498
3-(2-ethoxyphenyl)-N,N-dimethylprop-2-enamide
CID 76872157
(E)-3-(2,4-diethoxyphenyl)-1-(2-methoxyphenyl)prop-2-en-1-one
CID 139826664
methyl 4-chloro-3-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]benzoate
CID 29454929

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-(2-ethoxyphenyl)prop-2-en-1-one?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-(2-ethoxyphenyl)prop-2-en-1-one (CID 131632720) is 1-(2,5-dichlorophenyl)-3-(2-ethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-(2-ethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-(2-ethoxyphenyl)prop-2-en-1-one is CCOc1ccccc1C=CC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-(2-ethoxyphenyl)prop-2-en-1-one?
The InChIKey is ZGWXGNITEHTNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2O2/c1-2-21-17-6-4-3-5-12(17)7-10-16(20)14-11-13(18)8-9-15(14)19/h3-11H,2H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)-3-(2-ethoxyphenyl)prop-2-en-1-one?
1-(2,5-dichlorophenyl)-3-(2-ethoxyphenyl)prop-2-en-1-one has a molecular weight of 321.20 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-(2-ethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 131632720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).