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

C17H15ClO3 — CID 5346090

IUPAC(E)-1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C17H15ClO3/c1-20-15-9-5-13(17(11-15)21-2)6-10-16(19)12-3-7-14(18)8-4-12/h3-11H,1-2H3/b10-6+
InChIKeyRIAYIRFYWCEXLV-UXBLZVDNSA-N
MW302.76 g/mol
LogP4.25
Rot. Bonds5

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

(E)-1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one (PubChem CID 5346090) has the molecular formula C17H15ClO3 and a molecular weight of 302.76 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one
PubChem CID5346090
Molecular FormulaC17H15ClO3
Molecular Weight302.76 g/mol
Exact Mass302.07
IUPAC Name(E)-1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C17H15ClO3/c1-20-15-9-5-13(17(11-15)21-2)6-10-16(19)12-3-7-14(18)8-4-12/h3-11H,1-2H3/b10-6+
InChIKeyRIAYIRFYWCEXLV-UXBLZVDNSA-N
XLogP4.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one (CID 5346090) is (E)-1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one is COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)c(OC)c1.
What is the InChIKey of (E)-1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one?
The InChIKey is RIAYIRFYWCEXLV-UXBLZVDNSA-N. The full InChI is InChI=1S/C17H15ClO3/c1-20-15-9-5-13(17(11-15)21-2)6-10-16(19)12-3-7-14(18)8-4-12/h3-11H,1-2H3/b10-6+.
What are the key properties of (E)-1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one?
(E)-1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)prop-2-en-1-one has a molecular weight of 302.76 g/mol, XLogP of 4.25, 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-(2,4-dimethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 5346090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).