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

C15H11ClO — CID 7292267

IUPAC(Z)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one
SMILESO=C(/C=C\c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H11ClO/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11H/b11-8-
InChIKeyABGIIXRNMHUKII-FLIBITNWSA-N
MW242.71 g/mol
LogP4.24
Rot. Bonds3

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

(Z)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one (PubChem CID 7292267) has the molecular formula C15H11ClO and a molecular weight of 242.71 g/mol. Its IUPAC name is (Z)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one
PubChem CID7292267
Molecular FormulaC15H11ClO
Molecular Weight242.71 g/mol
Exact Mass242.05
IUPAC Name(Z)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one
SMILESO=C(/C=C\c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H11ClO/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11H/b11-8-
InChIKeyABGIIXRNMHUKII-FLIBITNWSA-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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Related Compounds

(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]benzoate
CID 7918870
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
4-(3-oxo-3-phenylprop-1-enyl)benzoic acid;hydrochloride
CID 70593745
1,3-bis(4-hydroxyphenyl)prop-2-en-1-one;3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one
CID 67873183
1-(4-chlorophenyl)-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]urea
CID 11176351
[3-(4-chlorophenyl)oxiran-2-yl]-phenylmethanone;(E)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one;ethene
CID 158978900
dihydroxy(oxo)phosphanium;(E)-1,3-diphenylprop-2-en-1-one
CID 174799278
(E)-3-(4-chlorophenyl)-1-(4-pyrrol-1-ylphenyl)prop-2-en-1-one
CID 10852278
(E)-3-(4-phenoxyphenyl)-1-phenylprop-2-en-1-one
CID 6440216
1-(4-chlorophenyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 625655

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one?
The IUPAC name of (Z)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one (CID 7292267) is (Z)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one?
The canonical SMILES for (Z)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one is O=C(/C=C\c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of (Z)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one?
The InChIKey is ABGIIXRNMHUKII-FLIBITNWSA-N. The full InChI is InChI=1S/C15H11ClO/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11H/b11-8-.
What are the key properties of (Z)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one?
(Z)-3-(4-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 (Z)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one is sourced from PubChem (CID 7292267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).