(E)-1-(4-chlorophenyl)-3-(4-methoxyphenoxy)prop-2-en-1-one

C16H13ClO3 — CID 27014118

IUPAC(E)-1-(4-chlorophenyl)-3-(4-methoxyphenoxy)prop-2-en-1-one
SMILESCOc1ccc(O/C=C/C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H13ClO3/c1-19-14-6-8-15(9-7-14)20-11-10-16(18)12-2-4-13(17)5-3-12/h2-11H,1H3/b11-10+
InChIKeyKHWJESRBQMNKLE-ZHACJKMWSA-N
MW288.73 g/mol
LogP4.12
Rot. Bonds5

About (E)-1-(4-chlorophenyl)-3-(4-methoxyphenoxy)prop-2-en-1-one

(E)-1-(4-chlorophenyl)-3-(4-methoxyphenoxy)prop-2-en-1-one (PubChem CID 27014118) has the molecular formula C16H13ClO3 and a molecular weight of 288.73 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-3-(4-methoxyphenoxy)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-3-(4-methoxyphenoxy)prop-2-en-1-one
PubChem CID27014118
Molecular FormulaC16H13ClO3
Molecular Weight288.73 g/mol
Exact Mass288.06
IUPAC Name(E)-1-(4-chlorophenyl)-3-(4-methoxyphenoxy)prop-2-en-1-one
SMILESCOc1ccc(O/C=C/C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H13ClO3/c1-19-14-6-8-15(9-7-14)20-11-10-16(18)12-2-4-13(17)5-3-12/h2-11H,1H3/b11-10+
InChIKeyKHWJESRBQMNKLE-ZHACJKMWSA-N
XLogP4.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(4-chlorophenyl)-4-(4-methoxyphenyl)but-2-ene-1,4-dione
CID 102100444
(E)-3-(2,4-dichlorophenoxy)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 27013707
3-(3-chloro-4-fluorophenoxy)-1-(4-chlorophenyl)prop-2-en-1-one
CID 71832779
5-(4-chlorophenyl)-1-(4-methoxyphenyl)penta-2,4-dien-1-one
CID 71384226
(2E,4E)-5-(4-chlorophenyl)-1-(4-methoxyphenyl)penta-2,4-dien-1-one
CID 127040918
3-chloro-1-(4-methoxyphenyl)prop-2-en-1-one
CID 27468
(E)-3-(4-chloro-2-methylanilino)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 6188155
3-(4-chloro-2-hydroxyanilino)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 870858
3-(5-chloro-2-methylanilino)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 799053
1-(4-chlorophenyl)-3-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one
CID 54369733
3-(4-chloroanilino)-1-(4-methoxyphenyl)but-2-en-1-one
CID 799198
1-(4-chlorophenyl)-3-(4-methoxyanilino)but-2-en-1-one
CID 799452

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-chlorophenyl)-3-(4-methoxyphenoxy)prop-2-en-1-one?
The IUPAC name of (E)-1-(4-chlorophenyl)-3-(4-methoxyphenoxy)prop-2-en-1-one (CID 27014118) is (E)-1-(4-chlorophenyl)-3-(4-methoxyphenoxy)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-3-(4-methoxyphenoxy)prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-chlorophenyl)-3-(4-methoxyphenoxy)prop-2-en-1-one is COc1ccc(O/C=C/C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (E)-1-(4-chlorophenyl)-3-(4-methoxyphenoxy)prop-2-en-1-one?
The InChIKey is KHWJESRBQMNKLE-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H13ClO3/c1-19-14-6-8-15(9-7-14)20-11-10-16(18)12-2-4-13(17)5-3-12/h2-11H,1H3/b11-10+.
What are the key properties of (E)-1-(4-chlorophenyl)-3-(4-methoxyphenoxy)prop-2-en-1-one?
(E)-1-(4-chlorophenyl)-3-(4-methoxyphenoxy)prop-2-en-1-one has a molecular weight of 288.73 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-chlorophenyl)-3-(4-methoxyphenoxy)prop-2-en-1-one is sourced from PubChem (CID 27014118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).