phenyl 2-(4-chlorophenyl)-3-oxo-3-phenylpropanoate

C21H15ClO3 — CID 150624704

IUPACphenyl 2-(4-chlorophenyl)-3-oxo-3-phenylpropanoate
SMILESO=C(Oc1ccccc1)C(C(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H15ClO3/c22-17-13-11-15(12-14-17)19(20(23)16-7-3-1-4-8-16)21(24)25-18-9-5-2-6-10-18/h1-14,19H
InChIKeyIWQKEFYAIZBKRU-UHFFFAOYSA-N
MW350.80 g/mol
LogP4.91
Rot. Bonds5

About phenyl 2-(4-chlorophenyl)-3-oxo-3-phenylpropanoate

phenyl 2-(4-chlorophenyl)-3-oxo-3-phenylpropanoate (PubChem CID 150624704) has the molecular formula C21H15ClO3 and a molecular weight of 350.80 g/mol. Its IUPAC name is phenyl 2-(4-chlorophenyl)-3-oxo-3-phenylpropanoate.

Molecular Properties

Compound Namephenyl 2-(4-chlorophenyl)-3-oxo-3-phenylpropanoate
PubChem CID150624704
Molecular FormulaC21H15ClO3
Molecular Weight350.80 g/mol
Exact Mass350.07
IUPAC Namephenyl 2-(4-chlorophenyl)-3-oxo-3-phenylpropanoate
SMILESO=C(Oc1ccccc1)C(C(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H15ClO3/c22-17-13-11-15(12-14-17)19(20(23)16-7-3-1-4-8-16)21(24)25-18-9-5-2-6-10-18/h1-14,19H
InChIKeyIWQKEFYAIZBKRU-UHFFFAOYSA-N
XLogP4.91
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

bis(4-chlorophenyl) 2-(4-methoxyphenyl)propanedioate
CID 142461311
2-chloro-2-(4-chlorophenyl)-1-phenylethanone
CID 14247251
(4-chlorophenyl) 2-chloro-2-phenylacetate
CID 139902488
phenyl 3-oxo-2-phenylbutanoate
CID 22555082
2,2-bis(4-chlorophenoxy)-1-phenylethanone
CID 54253239
1-(4-chlorophenyl)-2,5-diphenylpentane-1,3,5-trione
CID 11839356
3-chloro-2-(4-chlorophenyl)-1-phenylpropan-1-one
CID 70489362
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-methoxybenzoate
CID 3276868
phenyl N-[(4-chlorophenyl)-phenylmethyl]carbamate
CID 101077414
phenyl 2-bromo-2-chloroacetate
CID 174609883
(2S)-2-(4-chlorophenoxy)-1-phenylpropan-1-one
CID 94165642
[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-[4-[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethoxy]carbonylphenoxy]benzoate
CID 126188262

Frequently Asked Questions

What is the IUPAC name of phenyl 2-(4-chlorophenyl)-3-oxo-3-phenylpropanoate?
The IUPAC name of phenyl 2-(4-chlorophenyl)-3-oxo-3-phenylpropanoate (CID 150624704) is phenyl 2-(4-chlorophenyl)-3-oxo-3-phenylpropanoate.
What is the SMILES notation for phenyl 2-(4-chlorophenyl)-3-oxo-3-phenylpropanoate?
The canonical SMILES for phenyl 2-(4-chlorophenyl)-3-oxo-3-phenylpropanoate is O=C(Oc1ccccc1)C(C(=O)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of phenyl 2-(4-chlorophenyl)-3-oxo-3-phenylpropanoate?
The InChIKey is IWQKEFYAIZBKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClO3/c22-17-13-11-15(12-14-17)19(20(23)16-7-3-1-4-8-16)21(24)25-18-9-5-2-6-10-18/h1-14,19H.
What are the key properties of phenyl 2-(4-chlorophenyl)-3-oxo-3-phenylpropanoate?
phenyl 2-(4-chlorophenyl)-3-oxo-3-phenylpropanoate has a molecular weight of 350.80 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-(4-chlorophenyl)-3-oxo-3-phenylpropanoate is sourced from PubChem (CID 150624704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).