(Z)-3-(2-chlorophenyl)-1-(4-chlorophenyl)-2-methylprop-2-en-1-one

C16H12Cl2O — CID 70387335

IUPAC(Z)-3-(2-chlorophenyl)-1-(4-chlorophenyl)-2-methylprop-2-en-1-one
SMILESC/C(=C/c1ccccc1Cl)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H12Cl2O/c1-11(10-13-4-2-3-5-15(13)18)16(19)12-6-8-14(17)9-7-12/h2-10H,1H3/b11-10-
InChIKeyGCECBTVOTAKZBW-KHPPLWFESA-N
MW291.18 g/mol
LogP5.28
Rot. Bonds3

About (Z)-3-(2-chlorophenyl)-1-(4-chlorophenyl)-2-methylprop-2-en-1-one

(Z)-3-(2-chlorophenyl)-1-(4-chlorophenyl)-2-methylprop-2-en-1-one (PubChem CID 70387335) has the molecular formula C16H12Cl2O and a molecular weight of 291.18 g/mol. Its IUPAC name is (Z)-3-(2-chlorophenyl)-1-(4-chlorophenyl)-2-methylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(2-chlorophenyl)-1-(4-chlorophenyl)-2-methylprop-2-en-1-one
PubChem CID70387335
Molecular FormulaC16H12Cl2O
Molecular Weight291.18 g/mol
Exact Mass290.03
IUPAC Name(Z)-3-(2-chlorophenyl)-1-(4-chlorophenyl)-2-methylprop-2-en-1-one
SMILESC/C(=C/c1ccccc1Cl)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H12Cl2O/c1-11(10-13-4-2-3-5-15(13)18)16(19)12-6-8-14(17)9-7-12/h2-10H,1H3/b11-10-
InChIKeyGCECBTVOTAKZBW-KHPPLWFESA-N
XLogP5.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.18
LogP ≤ 55.28
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

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(E)-3-(2-chlorophenyl)-N-(2-hydroxypropyl)-2-methylprop-2-enamide
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(Z)-2-(4-chlorophenyl)-3-hydroxy-1-phenylprop-2-en-1-one
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1-(4-chlorophenyl)-2-methylprop-2-en-1-one;N-methylmethanamine
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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-chlorophenyl)-1-(4-chlorophenyl)-2-methylprop-2-en-1-one?
The IUPAC name of (Z)-3-(2-chlorophenyl)-1-(4-chlorophenyl)-2-methylprop-2-en-1-one (CID 70387335) is (Z)-3-(2-chlorophenyl)-1-(4-chlorophenyl)-2-methylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-(2-chlorophenyl)-1-(4-chlorophenyl)-2-methylprop-2-en-1-one?
The canonical SMILES for (Z)-3-(2-chlorophenyl)-1-(4-chlorophenyl)-2-methylprop-2-en-1-one is C/C(=C/c1ccccc1Cl)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (Z)-3-(2-chlorophenyl)-1-(4-chlorophenyl)-2-methylprop-2-en-1-one?
The InChIKey is GCECBTVOTAKZBW-KHPPLWFESA-N. The full InChI is InChI=1S/C16H12Cl2O/c1-11(10-13-4-2-3-5-15(13)18)16(19)12-6-8-14(17)9-7-12/h2-10H,1H3/b11-10-.
What are the key properties of (Z)-3-(2-chlorophenyl)-1-(4-chlorophenyl)-2-methylprop-2-en-1-one?
(Z)-3-(2-chlorophenyl)-1-(4-chlorophenyl)-2-methylprop-2-en-1-one has a molecular weight of 291.18 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-chlorophenyl)-1-(4-chlorophenyl)-2-methylprop-2-en-1-one is sourced from PubChem (CID 70387335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).