(E)-1-(2-chlorophenyl)-3-[4-[(E)-3-(2-chlorophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one

C24H16Cl2O2 — CID 155677993

IUPAC(E)-1-(2-chlorophenyl)-3-[4-[(E)-3-(2-chlorophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(/C=C/C(=O)c2ccccc2Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C24H16Cl2O2/c25-21-7-3-1-5-19(21)23(27)15-13-17-9-11-18(12-10-17)14-16-24(28)20-6-2-4-8-22(20)26/h1-16H/b15-13+,16-14+
InChIKeyMDENUQCJPWYJBN-WXUKJITCSA-N
MW407.30 g/mol
LogP6.79
Rot. Bonds6

About (E)-1-(2-chlorophenyl)-3-[4-[(E)-3-(2-chlorophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one

(E)-1-(2-chlorophenyl)-3-[4-[(E)-3-(2-chlorophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one (PubChem CID 155677993) has the molecular formula C24H16Cl2O2 and a molecular weight of 407.30 g/mol. Its IUPAC name is (E)-1-(2-chlorophenyl)-3-[4-[(E)-3-(2-chlorophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-chlorophenyl)-3-[4-[(E)-3-(2-chlorophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
PubChem CID155677993
Molecular FormulaC24H16Cl2O2
Molecular Weight407.30 g/mol
Exact Mass406.05
IUPAC Name(E)-1-(2-chlorophenyl)-3-[4-[(E)-3-(2-chlorophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(/C=C/C(=O)c2ccccc2Cl)cc1)c1ccccc1Cl
InChIInChI=1S/C24H16Cl2O2/c25-21-7-3-1-5-19(21)23(27)15-13-17-9-11-18(12-10-17)14-16-24(28)20-6-2-4-8-22(20)26/h1-16H/b15-13+,16-14+
InChIKeyMDENUQCJPWYJBN-WXUKJITCSA-N
XLogP6.79
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.30
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-tert-butylphenyl)-1-(2-chlorophenyl)prop-2-en-1-one
CID 131632724
(E)-1-(4-bromophenyl)-3-[4-[(E)-3-(2-chlorophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 175919644
(E)-1,3-bis(2-chlorophenyl)prop-2-en-1-one
CID 5388429
2-[4-[(E)-3-(2-chlorophenyl)-3-oxoprop-1-enyl]phenoxy]acetic acid
CID 8833099
1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 25861
(E)-1-(2-chlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 8833056
5-[[4-[(E)-3-(2-chlorophenyl)-3-oxoprop-1-enyl]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 70684913
2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]benzoate
CID 42485639
3-(4-chlorophenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 582919
sodium 2-[3-(4-chlorophenyl)prop-2-enoyl]benzoate
CID 71831425
(E)-1-(2-chlorophenyl)but-2-en-1-one
CID 6158987
4-[(E)-3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 5272792

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-chlorophenyl)-3-[4-[(E)-3-(2-chlorophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one?
The IUPAC name of (E)-1-(2-chlorophenyl)-3-[4-[(E)-3-(2-chlorophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one (CID 155677993) is (E)-1-(2-chlorophenyl)-3-[4-[(E)-3-(2-chlorophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2-chlorophenyl)-3-[4-[(E)-3-(2-chlorophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one?
The canonical SMILES for (E)-1-(2-chlorophenyl)-3-[4-[(E)-3-(2-chlorophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one is O=C(/C=C/c1ccc(/C=C/C(=O)c2ccccc2Cl)cc1)c1ccccc1Cl.
What is the InChIKey of (E)-1-(2-chlorophenyl)-3-[4-[(E)-3-(2-chlorophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one?
The InChIKey is MDENUQCJPWYJBN-WXUKJITCSA-N. The full InChI is InChI=1S/C24H16Cl2O2/c25-21-7-3-1-5-19(21)23(27)15-13-17-9-11-18(12-10-17)14-16-24(28)20-6-2-4-8-22(20)26/h1-16H/b15-13+,16-14+.
What are the key properties of (E)-1-(2-chlorophenyl)-3-[4-[(E)-3-(2-chlorophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one?
(E)-1-(2-chlorophenyl)-3-[4-[(E)-3-(2-chlorophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one has a molecular weight of 407.30 g/mol, XLogP of 6.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-chlorophenyl)-3-[4-[(E)-3-(2-chlorophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one is sourced from PubChem (CID 155677993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).