(E)-3-(3-chlorophenyl)-1-phenylprop-2-en-1-one

C15H11ClO — CID 5377023

IUPAC(E)-3-(3-chlorophenyl)-1-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C15H11ClO/c16-14-8-4-5-12(11-14)9-10-15(17)13-6-2-1-3-7-13/h1-11H/b10-9+
InChIKeyXBFMSIZYORSEPA-MDZDMXLPSA-N
MW242.71 g/mol
LogP4.24
Rot. Bonds3

About (E)-3-(3-chlorophenyl)-1-phenylprop-2-en-1-one

(E)-3-(3-chlorophenyl)-1-phenylprop-2-en-1-one (PubChem CID 5377023) has the molecular formula C15H11ClO and a molecular weight of 242.71 g/mol. Its IUPAC name is (E)-3-(3-chlorophenyl)-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(3-chlorophenyl)-1-phenylprop-2-en-1-one
PubChem CID5377023
Molecular FormulaC15H11ClO
Molecular Weight242.71 g/mol
Exact Mass242.05
IUPAC Name(E)-3-(3-chlorophenyl)-1-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C15H11ClO/c16-14-8-4-5-12(11-14)9-10-15(17)13-6-2-1-3-7-13/h1-11H/b10-9+
InChIKeyXBFMSIZYORSEPA-MDZDMXLPSA-N
XLogP4.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 54.24
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)-3-(3-chlorophenyl)-1-phenylprop-2-en-1-one?
The IUPAC name of (E)-3-(3-chlorophenyl)-1-phenylprop-2-en-1-one (CID 5377023) is (E)-3-(3-chlorophenyl)-1-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(3-chlorophenyl)-1-phenylprop-2-en-1-one?
The canonical SMILES for (E)-3-(3-chlorophenyl)-1-phenylprop-2-en-1-one is O=C(/C=C/c1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of (E)-3-(3-chlorophenyl)-1-phenylprop-2-en-1-one?
The InChIKey is XBFMSIZYORSEPA-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H11ClO/c16-14-8-4-5-12(11-14)9-10-15(17)13-6-2-1-3-7-13/h1-11H/b10-9+.
What are the key properties of (E)-3-(3-chlorophenyl)-1-phenylprop-2-en-1-one?
(E)-3-(3-chlorophenyl)-1-phenylprop-2-en-1-one has a molecular weight of 242.71 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chlorophenyl)-1-phenylprop-2-en-1-one is sourced from PubChem (CID 5377023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).