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

C15H8Cl4O — CID 6285114

IUPAC(E)-1,3-bis(2,4-dichlorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H8Cl4O/c16-10-3-1-9(13(18)7-10)2-6-15(20)12-5-4-11(17)8-14(12)19/h1-8H/b6-2+
InChIKeyGLTVNVIHTHMZTN-QHHAFSJGSA-N
MW346.04 g/mol
LogP6.20
Rot. Bonds3

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

(E)-1,3-bis(2,4-dichlorophenyl)prop-2-en-1-one (PubChem CID 6285114) has the molecular formula C15H8Cl4O and a molecular weight of 346.04 g/mol. Its IUPAC name is (E)-1,3-bis(2,4-dichlorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1,3-bis(2,4-dichlorophenyl)prop-2-en-1-one
PubChem CID6285114
Molecular FormulaC15H8Cl4O
Molecular Weight346.04 g/mol
Exact Mass343.93
IUPAC Name(E)-1,3-bis(2,4-dichlorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H8Cl4O/c16-10-3-1-9(13(18)7-10)2-6-15(20)12-5-4-11(17)8-14(12)19/h1-8H/b6-2+
InChIKeyGLTVNVIHTHMZTN-QHHAFSJGSA-N
XLogP6.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.04
LogP ≤ 56.20
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)-1,3-bis(2,4-dichlorophenyl)prop-2-en-1-one?
The IUPAC name of (E)-1,3-bis(2,4-dichlorophenyl)prop-2-en-1-one (CID 6285114) is (E)-1,3-bis(2,4-dichlorophenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1,3-bis(2,4-dichlorophenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1,3-bis(2,4-dichlorophenyl)prop-2-en-1-one is O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of (E)-1,3-bis(2,4-dichlorophenyl)prop-2-en-1-one?
The InChIKey is GLTVNVIHTHMZTN-QHHAFSJGSA-N. The full InChI is InChI=1S/C15H8Cl4O/c16-10-3-1-9(13(18)7-10)2-6-15(20)12-5-4-11(17)8-14(12)19/h1-8H/b6-2+.
What are the key properties of (E)-1,3-bis(2,4-dichlorophenyl)prop-2-en-1-one?
(E)-1,3-bis(2,4-dichlorophenyl)prop-2-en-1-one has a molecular weight of 346.04 g/mol, XLogP of 6.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,3-bis(2,4-dichlorophenyl)prop-2-en-1-one is sourced from PubChem (CID 6285114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).