benzyl 4-oxo-5-(4-phenylphenyl)pentanoate

C24H22O3 — CID 167054854

IUPACbenzyl 4-oxo-5-(4-phenylphenyl)pentanoate
SMILESO=C(CCC(=O)OCc1ccccc1)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H22O3/c25-23(15-16-24(26)27-18-20-7-3-1-4-8-20)17-19-11-13-22(14-12-19)21-9-5-2-6-10-21/h1-14H,15-18H2
InChIKeySUGWKMBIXWUBMA-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.99
Rot. Bonds8

About benzyl 4-oxo-5-(4-phenylphenyl)pentanoate

benzyl 4-oxo-5-(4-phenylphenyl)pentanoate (PubChem CID 167054854) has the molecular formula C24H22O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is benzyl 4-oxo-5-(4-phenylphenyl)pentanoate.

Molecular Properties

Compound Namebenzyl 4-oxo-5-(4-phenylphenyl)pentanoate
PubChem CID167054854
Molecular FormulaC24H22O3
Molecular Weight358.44 g/mol
Exact Mass358.16
IUPAC Namebenzyl 4-oxo-5-(4-phenylphenyl)pentanoate
SMILESO=C(CCC(=O)OCc1ccccc1)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H22O3/c25-23(15-16-24(26)27-18-20-7-3-1-4-8-20)17-19-11-13-22(14-12-19)21-9-5-2-6-10-21/h1-14H,15-18H2
InChIKeySUGWKMBIXWUBMA-UHFFFAOYSA-N
XLogP4.99
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

dibenzyl 4-oxoheptanedioate
CID 14639376
benzyl 10-oxo-11-phenylundecanoate
CID 170190928
(4-phenylphenyl)methyl 2-[(2-phenylacetyl)amino]acetate
CID 7826713
benzyl 5-chloro-4-oxopentanoate
CID 150288604
benzyl 4-oxoheptanoate
CID 172815327
1-O-benzyl 4-O-[(2-hydroxyacetyl)oxymethyl] butanedioate
CID 71345343
4-O-amino 1-O-benzyl butanedioate
CID 54013080
4-oxo-4-[(3-phenylphenyl)methoxy]butanoic acid
CID 123340763
(4-phenylphenyl)methyl carbamate
CID 123751479
1-[4-(4-hydroxyphenyl)phenyl]-4-phenylbutan-2-one
CID 71035018
benzyl 5-amino-4-oxopentanoate;2-chloroacetic acid
CID 130277259
(4-phenylphenyl)methyl 2-(4-acetamidophenyl)acetate
CID 8611518

Frequently Asked Questions

What is the IUPAC name of benzyl 4-oxo-5-(4-phenylphenyl)pentanoate?
The IUPAC name of benzyl 4-oxo-5-(4-phenylphenyl)pentanoate (CID 167054854) is benzyl 4-oxo-5-(4-phenylphenyl)pentanoate.
What is the SMILES notation for benzyl 4-oxo-5-(4-phenylphenyl)pentanoate?
The canonical SMILES for benzyl 4-oxo-5-(4-phenylphenyl)pentanoate is O=C(CCC(=O)OCc1ccccc1)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of benzyl 4-oxo-5-(4-phenylphenyl)pentanoate?
The InChIKey is SUGWKMBIXWUBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O3/c25-23(15-16-24(26)27-18-20-7-3-1-4-8-20)17-19-11-13-22(14-12-19)21-9-5-2-6-10-21/h1-14H,15-18H2.
What are the key properties of benzyl 4-oxo-5-(4-phenylphenyl)pentanoate?
benzyl 4-oxo-5-(4-phenylphenyl)pentanoate has a molecular weight of 358.44 g/mol, XLogP of 4.99, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-oxo-5-(4-phenylphenyl)pentanoate is sourced from PubChem (CID 167054854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).