2-benzoyl-11-phenylundecanoic acid

C24H30O3 — CID 54512178

IUPAC2-benzoyl-11-phenylundecanoic acid
SMILESO=C(O)C(CCCCCCCCCc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C24H30O3/c25-23(21-17-11-7-12-18-21)22(24(26)27)19-13-5-3-1-2-4-8-14-20-15-9-6-10-16-20/h6-7,9-12,15-18,22H,1-5,8,13-14,19H2,(H,26,27)
InChIKeyYJXDICRIVMRAJF-UHFFFAOYSA-N
MW366.50 g/mol
LogP5.93
Rot. Bonds13

About 2-benzoyl-11-phenylundecanoic acid

2-benzoyl-11-phenylundecanoic acid (PubChem CID 54512178) has the molecular formula C24H30O3 and a molecular weight of 366.50 g/mol. Its IUPAC name is 2-benzoyl-11-phenylundecanoic acid.

Molecular Properties

Compound Name2-benzoyl-11-phenylundecanoic acid
PubChem CID54512178
Molecular FormulaC24H30O3
Molecular Weight366.50 g/mol
Exact Mass366.22
IUPAC Name2-benzoyl-11-phenylundecanoic acid
SMILESO=C(O)C(CCCCCCCCCc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C24H30O3/c25-23(21-17-11-7-12-18-21)22(24(26)27)19-13-5-3-1-2-4-8-14-20-15-9-6-10-16-20/h6-7,9-12,15-18,22H,1-5,8,13-14,19H2,(H,26,27)
InChIKeyYJXDICRIVMRAJF-UHFFFAOYSA-N
XLogP5.93
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.50
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 20544236
ethyl 2-benzoyl-5-phenylpentanoate
CID 57081921
(2S)-2-ethoxycarbonyl-10-phenyldecanoic acid
CID 129394808
2-amino-7-phenylheptanoic acid
CID 85132413
7-phenyl-2-propan-2-ylheptanoic acid
CID 15660880
(2R)-2-benzyl-6-phenylhexanoic acid
CID 131720158
2-nitroso-6-phenylhexanoic acid
CID 57068529
15-phenylpentadecane-1,1-diol
CID 139927269
diethyl 2-(4-phenylbutyl)propanedioate
CID 10661321
2-butan-2-yloxycarbonyl-7-phenylheptanoic acid
CID 70548779
dicyclohexyl 2-(4-phenylbutyl)propanedioate
CID 141391882
2,5-dibenzoylhexanedioic acid;2,5-dibenzoylhexanedioyl dichloride
CID 158534697

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-11-phenylundecanoic acid?
The IUPAC name of 2-benzoyl-11-phenylundecanoic acid (CID 54512178) is 2-benzoyl-11-phenylundecanoic acid.
What is the SMILES notation for 2-benzoyl-11-phenylundecanoic acid?
The canonical SMILES for 2-benzoyl-11-phenylundecanoic acid is O=C(O)C(CCCCCCCCCc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of 2-benzoyl-11-phenylundecanoic acid?
The InChIKey is YJXDICRIVMRAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O3/c25-23(21-17-11-7-12-18-21)22(24(26)27)19-13-5-3-1-2-4-8-14-20-15-9-6-10-16-20/h6-7,9-12,15-18,22H,1-5,8,13-14,19H2,(H,26,27).
What are the key properties of 2-benzoyl-11-phenylundecanoic acid?
2-benzoyl-11-phenylundecanoic acid has a molecular weight of 366.50 g/mol, XLogP of 5.93, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-11-phenylundecanoic acid is sourced from PubChem (CID 54512178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).