benzyl 10-oxo-11-phenylundecanoate

C24H30O3 — CID 170190928

IUPACbenzyl 10-oxo-11-phenylundecanoate
SMILESO=C(CCCCCCCCC(=O)OCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H30O3/c25-23(19-21-13-7-5-8-14-21)17-11-3-1-2-4-12-18-24(26)27-20-22-15-9-6-10-16-22/h5-10,13-16H,1-4,11-12,17-20H2
InChIKeyIKTFRKQKOKRIAX-UHFFFAOYSA-N
MW366.50 g/mol
LogP5.66
Rot. Bonds13

About benzyl 10-oxo-11-phenylundecanoate

benzyl 10-oxo-11-phenylundecanoate (PubChem CID 170190928) has the molecular formula C24H30O3 and a molecular weight of 366.50 g/mol. Its IUPAC name is benzyl 10-oxo-11-phenylundecanoate.

Molecular Properties

Compound Namebenzyl 10-oxo-11-phenylundecanoate
PubChem CID170190928
Molecular FormulaC24H30O3
Molecular Weight366.50 g/mol
Exact Mass366.22
IUPAC Namebenzyl 10-oxo-11-phenylundecanoate
SMILESO=C(CCCCCCCCC(=O)OCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H30O3/c25-23(19-21-13-7-5-8-14-21)17-11-3-1-2-4-12-18-24(26)27-20-22-15-9-6-10-16-22/h5-10,13-16H,1-4,11-12,17-20H2
InChIKeyIKTFRKQKOKRIAX-UHFFFAOYSA-N
XLogP5.66
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.50
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze benzyl 10-oxo-11-phenylundecanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

26-oxo-26-phenylmethoxyhexacosanoic acid
CID 155487553
benzyl 6-aminohexanoate;hydrochloride
CID 67401791
benzyl 16-chloro-16-oxohexadecanoate
CID 131724893
benzyl heptadecanoate
CID 522569
benzyl 12-oxotridecanoate
CID 21035822
benzyl 5-hydroxypentanoate
CID 19788674
benzyl 4-oxo-5-(4-phenylphenyl)pentanoate
CID 167054854
benzyl 6-[bis(2-phenylacetyl)amino]hexanoate
CID 21156409
1-O-benzyl 12-O-carbamoyl dodecanedioate
CID 159562701
benzyl 6-chloro-5-oxohexanoate
CID 170561744
benzyl 4-phenylbutanoate
CID 11961623
8-oxo-9-phenylnonanoic acid
CID 58119944

Frequently Asked Questions

What is the IUPAC name of benzyl 10-oxo-11-phenylundecanoate?
The IUPAC name of benzyl 10-oxo-11-phenylundecanoate (CID 170190928) is benzyl 10-oxo-11-phenylundecanoate.
What is the SMILES notation for benzyl 10-oxo-11-phenylundecanoate?
The canonical SMILES for benzyl 10-oxo-11-phenylundecanoate is O=C(CCCCCCCCC(=O)OCc1ccccc1)Cc1ccccc1.
What is the InChIKey of benzyl 10-oxo-11-phenylundecanoate?
The InChIKey is IKTFRKQKOKRIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O3/c25-23(19-21-13-7-5-8-14-21)17-11-3-1-2-4-12-18-24(26)27-20-22-15-9-6-10-16-22/h5-10,13-16H,1-4,11-12,17-20H2.
What are the key properties of benzyl 10-oxo-11-phenylundecanoate?
benzyl 10-oxo-11-phenylundecanoate has a molecular weight of 366.50 g/mol, XLogP of 5.66, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 10-oxo-11-phenylundecanoate is sourced from PubChem (CID 170190928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).