(Z)-3-chloro-1,3-diphenylprop-2-en-1-one

C15H11ClO — CID 12890118

IUPAC(Z)-3-chloro-1,3-diphenylprop-2-en-1-one
SMILESO=C(/C=C(\Cl)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H11ClO/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-11H/b14-11-
InChIKeyFQEBYFDFKICMDS-KAMYIIQDSA-N
MW242.71 g/mol
LogP4.15
Rot. Bonds3

About (Z)-3-chloro-1,3-diphenylprop-2-en-1-one

(Z)-3-chloro-1,3-diphenylprop-2-en-1-one (PubChem CID 12890118) has the molecular formula C15H11ClO and a molecular weight of 242.71 g/mol. Its IUPAC name is (Z)-3-chloro-1,3-diphenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-chloro-1,3-diphenylprop-2-en-1-one
PubChem CID12890118
Molecular FormulaC15H11ClO
Molecular Weight242.71 g/mol
Exact Mass242.05
IUPAC Name(Z)-3-chloro-1,3-diphenylprop-2-en-1-one
SMILESO=C(/C=C(\Cl)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H11ClO/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-11H/b14-11-
InChIKeyFQEBYFDFKICMDS-KAMYIIQDSA-N
XLogP4.15
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 ≤ 54.15
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

(Z)-3-chloro-3-phenylprop-2-enoyl chloride
CID 13053218
bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);zinc
CID 5369713
(Z)-1,4-dichloro-1-phenylpent-1-en-3-one
CID 135077289
bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);titanium;dihydrate
CID 6477791
3-hydroxy-1-phenylbut-2-en-1-one;bis((E)-3-hydroxy-1-phenylbut-2-en-1-one);iron
CID 135504737
(Z)-3-amino-1,3-diphenylprop-2-en-1-one
CID 5376383
5-[(E)-1-chloro-3-oxo-3-phenylprop-1-enyl]-1H-pyrimidine-2,4-dione
CID 20835139
(E)-3-bromo-1-phenylbut-2-en-1-one
CID 13299915
(Z)-1,2,4-triphenylbut-2-ene-1,4-dione
CID 5369696
(2Z,4Z,6Z,8Z)-1,3,4,7,8,10-hexakis-phenyldeca-2,4,6,8-tetraene-1,10-dione
CID 139037325
bis(2-chloro-2-phenylethenyl)phosphinic acid
CID 71361509
3-amino-4,4,4-trichloro-1-phenylbut-2-en-1-one
CID 67682583

Frequently Asked Questions

What is the IUPAC name of (Z)-3-chloro-1,3-diphenylprop-2-en-1-one?
The IUPAC name of (Z)-3-chloro-1,3-diphenylprop-2-en-1-one (CID 12890118) is (Z)-3-chloro-1,3-diphenylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-chloro-1,3-diphenylprop-2-en-1-one?
The canonical SMILES for (Z)-3-chloro-1,3-diphenylprop-2-en-1-one is O=C(/C=C(\Cl)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-3-chloro-1,3-diphenylprop-2-en-1-one?
The InChIKey is FQEBYFDFKICMDS-KAMYIIQDSA-N. The full InChI is InChI=1S/C15H11ClO/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-11H/b14-11-.
What are the key properties of (Z)-3-chloro-1,3-diphenylprop-2-en-1-one?
(Z)-3-chloro-1,3-diphenylprop-2-en-1-one has a molecular weight of 242.71 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-chloro-1,3-diphenylprop-2-en-1-one is sourced from PubChem (CID 12890118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).