azane;cyclohexanecarboxylic acid;4-phenylbenzaldehyde

C20H25NO3 — CID 23291608

IUPACazane;cyclohexanecarboxylic acid;4-phenylbenzaldehyde
SMILESN.O=C(O)C1CCCCC1.O=Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H10O.C7H12O2.H3N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;8-7(9)6-4-2-1-3-5-6;/h1-10H;6H,1-5H2,(H,8,9);1H3
InChIKeyZUOYIKCNJNNKEF-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.98
Rot. Bonds3

About azane;cyclohexanecarboxylic acid;4-phenylbenzaldehyde

azane;cyclohexanecarboxylic acid;4-phenylbenzaldehyde (PubChem CID 23291608) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is azane;cyclohexanecarboxylic acid;4-phenylbenzaldehyde.

Molecular Properties

Compound Nameazane;cyclohexanecarboxylic acid;4-phenylbenzaldehyde
PubChem CID23291608
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Nameazane;cyclohexanecarboxylic acid;4-phenylbenzaldehyde
SMILESN.O=C(O)C1CCCCC1.O=Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H10O.C7H12O2.H3N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;8-7(9)6-4-2-1-3-5-6;/h1-10H;6H,1-5H2,(H,8,9);1H3
InChIKeyZUOYIKCNJNNKEF-UHFFFAOYSA-N
XLogP4.98
TPSA89.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclohexanecarboxylic acid;4-phenylbenzaldehyde
CID 160797265
cyclopentyl-(4-phenylphenyl)methanone
CID 43337740
tris(cyclohexanecarboxylic acid);1H-inden-1-ide;titanium
CID 18780984
cyclohexanecarboxylic acid;4-hydroxy-3,5-dimethylbenzaldehyde
CID 160868308
4-[2-(4-phenylphenyl)ethynyl]benzaldehyde
CID 11358016
cyclotetracosanecarboxylic acid
CID 176986816
cyclooctadecane-1,7,13-tricarboxylic acid
CID 10715056
cyclohexanecarboxylic acid
CID 11286469
cyclohexanecarboxylic acid;N-methylbenzamide
CID 70533648
cyclohexanamine;(2S)-2,5-diaminopentanoic acid;hydron;4-phenylbenzaldehyde
CID 173276644
1-(4-formylphenyl)piperidine-3-carboxylic acid
CID 83972018
cyclohexanecarboxylic acid;trihydrochloride
CID 67185988

Frequently Asked Questions

What is the IUPAC name of azane;cyclohexanecarboxylic acid;4-phenylbenzaldehyde?
The IUPAC name of azane;cyclohexanecarboxylic acid;4-phenylbenzaldehyde (CID 23291608) is azane;cyclohexanecarboxylic acid;4-phenylbenzaldehyde.
What is the SMILES notation for azane;cyclohexanecarboxylic acid;4-phenylbenzaldehyde?
The canonical SMILES for azane;cyclohexanecarboxylic acid;4-phenylbenzaldehyde is N.O=C(O)C1CCCCC1.O=Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of azane;cyclohexanecarboxylic acid;4-phenylbenzaldehyde?
The InChIKey is ZUOYIKCNJNNKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.C7H12O2.H3N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;8-7(9)6-4-2-1-3-5-6;/h1-10H;6H,1-5H2,(H,8,9);1H3.
What are the key properties of azane;cyclohexanecarboxylic acid;4-phenylbenzaldehyde?
azane;cyclohexanecarboxylic acid;4-phenylbenzaldehyde has a molecular weight of 327.42 g/mol, XLogP of 4.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;cyclohexanecarboxylic acid;4-phenylbenzaldehyde is sourced from PubChem (CID 23291608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).