ethyl 2-benzoyl-5-phenylpentanoate

C20H22O3 — CID 57081921

IUPACethyl 2-benzoyl-5-phenylpentanoate
SMILESCCOC(=O)C(CCCc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C20H22O3/c1-2-23-20(22)18(19(21)17-13-7-4-8-14-17)15-9-12-16-10-5-3-6-11-16/h3-8,10-11,13-14,18H,2,9,12,15H2,1H3
InChIKeyHZAPADSGFVSJEI-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.07
Rot. Bonds8

About ethyl 2-benzoyl-5-phenylpentanoate

ethyl 2-benzoyl-5-phenylpentanoate (PubChem CID 57081921) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is ethyl 2-benzoyl-5-phenylpentanoate.

Molecular Properties

Compound Nameethyl 2-benzoyl-5-phenylpentanoate
PubChem CID57081921
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Nameethyl 2-benzoyl-5-phenylpentanoate
SMILESCCOC(=O)C(CCCc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C20H22O3/c1-2-23-20(22)18(19(21)17-13-7-4-8-14-17)15-9-12-16-10-5-3-6-11-16/h3-8,10-11,13-14,18H,2,9,12,15H2,1H3
InChIKeyHZAPADSGFVSJEI-UHFFFAOYSA-N
XLogP4.07
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-acetyl-5-phenylpentanoate
CID 14921745
diethyl 2-(4-phenylbutyl)propanedioate
CID 10661321
(2S)-2-ethoxycarbonyl-10-phenyldecanoic acid
CID 129394808
ethyl 5-phenyl-2-(2,2,2-trifluoroacetyl)pentanoate
CID 14435905
2-benzoyl-11-phenylundecanoic acid
CID 54512178
ethyl 2-benzoyl-4-oxopentanoate
CID 14689358
benzenecarbodithioic acid;diethyl 2-(2-phenylethyl)propanedioate
CID 175282193
diethyl 2-[3-(4-chlorophenyl)propyl]propanedioate
CID 54537439
butyl 2-benzyl-3-oxo-3-phenylpropanoate
CID 66554215
ethyl 2-cyano-5-phenylpentanoate
CID 14921743
5-(3-chlorophenyl)-2-ethoxycarbonylpentanoic acid
CID 54177439
ethyl 3-oxo-4-phenyl-2-(2-phenylethyl)butanoate
CID 139793390

Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzoyl-5-phenylpentanoate?
The IUPAC name of ethyl 2-benzoyl-5-phenylpentanoate (CID 57081921) is ethyl 2-benzoyl-5-phenylpentanoate.
What is the SMILES notation for ethyl 2-benzoyl-5-phenylpentanoate?
The canonical SMILES for ethyl 2-benzoyl-5-phenylpentanoate is CCOC(=O)C(CCCc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of ethyl 2-benzoyl-5-phenylpentanoate?
The InChIKey is HZAPADSGFVSJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c1-2-23-20(22)18(19(21)17-13-7-4-8-14-17)15-9-12-16-10-5-3-6-11-16/h3-8,10-11,13-14,18H,2,9,12,15H2,1H3.
What are the key properties of ethyl 2-benzoyl-5-phenylpentanoate?
ethyl 2-benzoyl-5-phenylpentanoate has a molecular weight of 310.39 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzoyl-5-phenylpentanoate is sourced from PubChem (CID 57081921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).