(E)-1-(2,5-dichlorophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one

C15H8Cl4O — CID 7947589

IUPAC(E)-1-(2,5-dichlorophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1c(Cl)cccc1Cl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H8Cl4O/c16-9-4-6-14(19)11(8-9)15(20)7-5-10-12(17)2-1-3-13(10)18/h1-8H/b7-5+
InChIKeyBVIMTXGDZRPGFR-FNORWQNLSA-N
MW346.04 g/mol
LogP6.20
Rot. Bonds3

About (E)-1-(2,5-dichlorophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one

(E)-1-(2,5-dichlorophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one (PubChem CID 7947589) has the molecular formula C15H8Cl4O and a molecular weight of 346.04 g/mol. Its IUPAC name is (E)-1-(2,5-dichlorophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2,5-dichlorophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one
PubChem CID7947589
Molecular FormulaC15H8Cl4O
Molecular Weight346.04 g/mol
Exact Mass343.93
IUPAC Name(E)-1-(2,5-dichlorophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1c(Cl)cccc1Cl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H8Cl4O/c16-9-4-6-14(19)11(8-9)15(20)7-5-10-12(17)2-1-3-13(10)18/h1-8H/b7-5+
InChIKeyBVIMTXGDZRPGFR-FNORWQNLSA-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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Related Compounds

(E)-3-(2-chlorophenyl)-1-(2,5-dichlorophenyl)prop-2-en-1-one
CID 7947559
(E)-3-(2-chloro-6-fluorophenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one
CID 19562947
1-(2,5-dichlorophenyl)-3-hydroxyprop-2-en-1-one
CID 23719435
(E)-1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 7947579
1-(2,4-dichlorophenyl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one
CID 3396457
3-[3-(2,6-dichlorophenyl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 110209234
(Z)-3-(3-chloroanilino)-1-(2,5-dichlorophenyl)prop-2-en-1-one
CID 18531911
1-(2,5-dichlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 78574904
(Z)-3-(2,6-dichlorophenyl)-1-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 92909351
1-(2,5-dichlorophenyl)-3-(4-ethylphenyl)prop-2-en-1-one
CID 78574913
1-(2,5-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 78574899
(Z)-4-(2,6-dichlorophenyl)but-3-en-2-one
CID 42556106

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,5-dichlorophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(2,5-dichlorophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one (CID 7947589) is (E)-1-(2,5-dichlorophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2,5-dichlorophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(2,5-dichlorophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one is O=C(/C=C/c1c(Cl)cccc1Cl)c1cc(Cl)ccc1Cl.
What is the InChIKey of (E)-1-(2,5-dichlorophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one?
The InChIKey is BVIMTXGDZRPGFR-FNORWQNLSA-N. The full InChI is InChI=1S/C15H8Cl4O/c16-9-4-6-14(19)11(8-9)15(20)7-5-10-12(17)2-1-3-13(10)18/h1-8H/b7-5+.
What are the key properties of (E)-1-(2,5-dichlorophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one?
(E)-1-(2,5-dichlorophenyl)-3-(2,6-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-(2,5-dichlorophenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one is sourced from PubChem (CID 7947589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).