(E)-1-(4-chlorophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one

C15H9Cl3O — CID 5377990

IUPAC(E)-1-(4-chlorophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1c(Cl)cccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C15H9Cl3O/c16-11-6-4-10(5-7-11)15(19)9-8-12-13(17)2-1-3-14(12)18/h1-9H/b9-8+
InChIKeyUNMRSNMNIOEKID-CMDGGOBGSA-N
MW311.60 g/mol
LogP5.54
Rot. Bonds3

About (E)-1-(4-chlorophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one

(E)-1-(4-chlorophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one (PubChem CID 5377990) has the molecular formula C15H9Cl3O and a molecular weight of 311.60 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one
PubChem CID5377990
Molecular FormulaC15H9Cl3O
Molecular Weight311.60 g/mol
Exact Mass309.97
IUPAC Name(E)-1-(4-chlorophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1c(Cl)cccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C15H9Cl3O/c16-11-6-4-10(5-7-11)15(19)9-8-12-13(17)2-1-3-14(12)18/h1-9H/b9-8+
InChIKeyUNMRSNMNIOEKID-CMDGGOBGSA-N
XLogP5.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.60
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(2,6-dichlorophenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(4-chlorophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one (CID 5377990) is (E)-1-(4-chlorophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-chlorophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one is O=C(/C=C/c1c(Cl)cccc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of (E)-1-(4-chlorophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one?
The InChIKey is UNMRSNMNIOEKID-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H9Cl3O/c16-11-6-4-10(5-7-11)15(19)9-8-12-13(17)2-1-3-14(12)18/h1-9H/b9-8+.
What are the key properties of (E)-1-(4-chlorophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one?
(E)-1-(4-chlorophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one has a molecular weight of 311.60 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-chlorophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one is sourced from PubChem (CID 5377990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).