(E)-3-(3-chlorophenyl)-1-(6-methoxy-3-pyridinyl)prop-2-en-1-one

C15H12ClNO2 — CID 127035266

IUPAC(E)-3-(3-chlorophenyl)-1-(6-methoxy-3-pyridinyl)prop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C/c2cccc(Cl)c2)cn1
InChIInChI=1S/C15H12ClNO2/c1-19-15-8-6-12(10-17-15)14(18)7-5-11-3-2-4-13(16)9-11/h2-10H,1H3/b7-5+
InChIKeyPUXMLLCCWJFPSI-FNORWQNLSA-N
MW273.72 g/mol
LogP3.64
Rot. Bonds4

About (E)-3-(3-chlorophenyl)-1-(6-methoxy-3-pyridinyl)prop-2-en-1-one

(E)-3-(3-chlorophenyl)-1-(6-methoxy-3-pyridinyl)prop-2-en-1-one (PubChem CID 127035266) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is (E)-3-(3-chlorophenyl)-1-(6-methoxy-3-pyridinyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(3-chlorophenyl)-1-(6-methoxy-3-pyridinyl)prop-2-en-1-one
PubChem CID127035266
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name(E)-3-(3-chlorophenyl)-1-(6-methoxy-3-pyridinyl)prop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C/c2cccc(Cl)c2)cn1
InChIInChI=1S/C15H12ClNO2/c1-19-15-8-6-12(10-17-15)14(18)7-5-11-3-2-4-13(16)9-11/h2-10H,1H3/b7-5+
InChIKeyPUXMLLCCWJFPSI-FNORWQNLSA-N
XLogP3.64
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(3-chlorophenyl)-1-(6-methoxy-3-pyridinyl)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

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chlorophenyl)-1-(6-methoxy-3-pyridinyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(3-chlorophenyl)-1-(6-methoxy-3-pyridinyl)prop-2-en-1-one (CID 127035266) is (E)-3-(3-chlorophenyl)-1-(6-methoxy-3-pyridinyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(3-chlorophenyl)-1-(6-methoxy-3-pyridinyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(3-chlorophenyl)-1-(6-methoxy-3-pyridinyl)prop-2-en-1-one is COc1ccc(C(=O)/C=C/c2cccc(Cl)c2)cn1.
What is the InChIKey of (E)-3-(3-chlorophenyl)-1-(6-methoxy-3-pyridinyl)prop-2-en-1-one?
The InChIKey is PUXMLLCCWJFPSI-FNORWQNLSA-N. The full InChI is InChI=1S/C15H12ClNO2/c1-19-15-8-6-12(10-17-15)14(18)7-5-11-3-2-4-13(16)9-11/h2-10H,1H3/b7-5+.
What are the key properties of (E)-3-(3-chlorophenyl)-1-(6-methoxy-3-pyridinyl)prop-2-en-1-one?
(E)-3-(3-chlorophenyl)-1-(6-methoxy-3-pyridinyl)prop-2-en-1-one has a molecular weight of 273.72 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chlorophenyl)-1-(6-methoxy-3-pyridinyl)prop-2-en-1-one is sourced from PubChem (CID 127035266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).