cyclohexanecarboxylic acid;4-phenylbenzaldehyde

C20H22O3 — CID 160797265

IUPACcyclohexanecarboxylic acid;4-phenylbenzaldehyde
SMILESO=C(O)C1CCCCC1.O=Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H10O.C7H12O2/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)
InChIKeySCPHLVGMTKXEJV-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.82
Rot. Bonds3

About cyclohexanecarboxylic acid;4-phenylbenzaldehyde

cyclohexanecarboxylic acid;4-phenylbenzaldehyde (PubChem CID 160797265) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is cyclohexanecarboxylic acid;4-phenylbenzaldehyde.

Molecular Properties

Compound Namecyclohexanecarboxylic acid;4-phenylbenzaldehyde
PubChem CID160797265
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Namecyclohexanecarboxylic acid;4-phenylbenzaldehyde
SMILESO=C(O)C1CCCCC1.O=Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H10O.C7H12O2/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)
InChIKeySCPHLVGMTKXEJV-UHFFFAOYSA-N
XLogP4.82
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

azane;cyclohexanecarboxylic acid;4-phenylbenzaldehyde
CID 23291608
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
cyclohexanecarboxylic acid
CID 11286469
cyclotetracosanecarboxylic acid
CID 176986816
cyclooctadecane-1,7,13-tricarboxylic acid
CID 10715056
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
cycloheptanecarboxylic acid;indigane
CID 173230239
cyclohexanecarboxylic acid;octahydrate
CID 175413747

Frequently Asked Questions

What is the IUPAC name of cyclohexanecarboxylic acid;4-phenylbenzaldehyde?
The IUPAC name of cyclohexanecarboxylic acid;4-phenylbenzaldehyde (CID 160797265) is cyclohexanecarboxylic acid;4-phenylbenzaldehyde.
What is the SMILES notation for cyclohexanecarboxylic acid;4-phenylbenzaldehyde?
The canonical SMILES for cyclohexanecarboxylic acid;4-phenylbenzaldehyde is O=C(O)C1CCCCC1.O=Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of cyclohexanecarboxylic acid;4-phenylbenzaldehyde?
The InChIKey is SCPHLVGMTKXEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.C7H12O2/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).
What are the key properties of cyclohexanecarboxylic acid;4-phenylbenzaldehyde?
cyclohexanecarboxylic acid;4-phenylbenzaldehyde has a molecular weight of 310.39 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanecarboxylic acid;4-phenylbenzaldehyde is sourced from PubChem (CID 160797265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).