(E)-1-(4-chlorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one

C22H17ClO2 — CID 5346335

IUPAC(E)-1-(4-chlorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H17ClO2/c23-20-11-9-19(10-12-20)22(24)15-8-17-6-13-21(14-7-17)25-16-18-4-2-1-3-5-18/h1-15H,16H2/b15-8+
InChIKeyAKYYUDMOJHBIGY-OVCLIPMQSA-N
MW348.83 g/mol
LogP5.82
Rot. Bonds6

About (E)-1-(4-chlorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one

(E)-1-(4-chlorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one (PubChem CID 5346335) has the molecular formula C22H17ClO2 and a molecular weight of 348.83 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
PubChem CID5346335
Molecular FormulaC22H17ClO2
Molecular Weight348.83 g/mol
Exact Mass348.09
IUPAC Name(E)-1-(4-chlorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H17ClO2/c23-20-11-9-19(10-12-20)22(24)15-8-17-6-13-21(14-7-17)25-16-18-4-2-1-3-5-18/h1-15H,16H2/b15-8+
InChIKeyAKYYUDMOJHBIGY-OVCLIPMQSA-N
XLogP5.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.83
LogP ≤ 55.82
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

Fenofibrate
CID 3339
Clofenoxyde
CID 194699
2-(4-Ethoxybenzylidene)-1-tetralone
CID 5702490
4-Chloro-4'-methoxychalcone
CID 5302715
2-Chloro-4'-methoxychalcone
CID 5354554
4-Chloro-4'-methoxybenzophenone
CID 82719
4'-Chloro-4-methoxychalcone
CID 5337609
4'-Chloro-2,4-dimethoxychalcone
CID 5346090
p-Benzyloxypropiophenone
CID 78246
4'-Chloroflavone
CID 151515
3'-Chloroflavone
CID 466272
(3E)-3-((4-Chlorophenyl)methylene)-2,3-dihydro-4H-1-benzopyran-4-one
CID 2305452

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-chlorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(4-chlorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one (CID 5346335) is (E)-1-(4-chlorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-chlorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one is O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of (E)-1-(4-chlorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one?
The InChIKey is AKYYUDMOJHBIGY-OVCLIPMQSA-N. The full InChI is InChI=1S/C22H17ClO2/c23-20-11-9-19(10-12-20)22(24)15-8-17-6-13-21(14-7-17)25-16-18-4-2-1-3-5-18/h1-15H,16H2/b15-8+.
What are the key properties of (E)-1-(4-chlorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one?
(E)-1-(4-chlorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one has a molecular weight of 348.83 g/mol, XLogP of 5.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-chlorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 5346335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).