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

C11H10Cl2O2 — CID 60869996

IUPAC(E)-1-(2,4-dichlorophenyl)-3-ethoxyprop-2-en-1-one
SMILESCCO/C=C/C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2O2/c1-2-15-6-5-11(14)9-4-3-8(12)7-10(9)13/h3-7H,2H2,1H3/b6-5+
InChIKeyRPLRVGOHUBZLCA-AATRIKPKSA-N
MW245.10 g/mol
LogP3.73
Rot. Bonds4

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

(E)-1-(2,4-dichlorophenyl)-3-ethoxyprop-2-en-1-one (PubChem CID 60869996) has the molecular formula C11H10Cl2O2 and a molecular weight of 245.10 g/mol. Its IUPAC name is (E)-1-(2,4-dichlorophenyl)-3-ethoxyprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2,4-dichlorophenyl)-3-ethoxyprop-2-en-1-one
PubChem CID60869996
Molecular FormulaC11H10Cl2O2
Molecular Weight245.10 g/mol
Exact Mass244.01
IUPAC Name(E)-1-(2,4-dichlorophenyl)-3-ethoxyprop-2-en-1-one
SMILESCCO/C=C/C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2O2/c1-2-15-6-5-11(14)9-4-3-8(12)7-10(9)13/h3-7H,2H2,1H3/b6-5+
InChIKeyRPLRVGOHUBZLCA-AATRIKPKSA-N
XLogP3.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.10
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,4-dichlorophenyl)-3-ethoxyprop-2-en-1-one?
The IUPAC name of (E)-1-(2,4-dichlorophenyl)-3-ethoxyprop-2-en-1-one (CID 60869996) is (E)-1-(2,4-dichlorophenyl)-3-ethoxyprop-2-en-1-one.
What is the SMILES notation for (E)-1-(2,4-dichlorophenyl)-3-ethoxyprop-2-en-1-one?
The canonical SMILES for (E)-1-(2,4-dichlorophenyl)-3-ethoxyprop-2-en-1-one is CCO/C=C/C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of (E)-1-(2,4-dichlorophenyl)-3-ethoxyprop-2-en-1-one?
The InChIKey is RPLRVGOHUBZLCA-AATRIKPKSA-N. The full InChI is InChI=1S/C11H10Cl2O2/c1-2-15-6-5-11(14)9-4-3-8(12)7-10(9)13/h3-7H,2H2,1H3/b6-5+.
What are the key properties of (E)-1-(2,4-dichlorophenyl)-3-ethoxyprop-2-en-1-one?
(E)-1-(2,4-dichlorophenyl)-3-ethoxyprop-2-en-1-one has a molecular weight of 245.10 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,4-dichlorophenyl)-3-ethoxyprop-2-en-1-one is sourced from PubChem (CID 60869996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).