[2-(4-methylbenzoyl)cyclohexyl] formate

C15H18O3 — CID 57314256

IUPAC[2-(4-methylbenzoyl)cyclohexyl] formate
SMILESCc1ccc(C(=O)C2CCCCC2OC=O)cc1
InChIInChI=1S/C15H18O3/c1-11-6-8-12(9-7-11)15(17)13-4-2-3-5-14(13)18-10-16/h6-10,13-14H,2-5H2,1H3
InChIKeySSYGHJAPMWDBQW-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.91
Rot. Bonds4

About [2-(4-methylbenzoyl)cyclohexyl] formate

[2-(4-methylbenzoyl)cyclohexyl] formate (PubChem CID 57314256) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is [2-(4-methylbenzoyl)cyclohexyl] formate.

Molecular Properties

Compound Name[2-(4-methylbenzoyl)cyclohexyl] formate
PubChem CID57314256
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name[2-(4-methylbenzoyl)cyclohexyl] formate
SMILESCc1ccc(C(=O)C2CCCCC2OC=O)cc1
InChIInChI=1S/C15H18O3/c1-11-6-8-12(9-7-11)15(17)13-4-2-3-5-14(13)18-10-16/h6-10,13-14H,2-5H2,1H3
InChIKeySSYGHJAPMWDBQW-UHFFFAOYSA-N
XLogP2.91
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-(4-methylbenzoyl)cyclohexyl] formate 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

[2-(1,1,2,3,3-pentamethyl-2H-indene-5-carbonyl)cyclohexyl] formate
CID 57257912
[(1R,2R)-2-(4-methylbenzoyl)cyclopropyl]-(4-methylphenyl)methanone
CID 12032685
[(1S,2R)-2-(2,5-dimethylphenyl)cyclopentyl]-(4-methylphenyl)methanone
CID 59816194
trans-methyl (1S,2S)-2-(4-methylbenzoyl)cyclopropane-1-carboxylate
CID 99992932
[(3R,4S)-1-methyl-4-(4-methylbenzoyl)pyrrolidin-3-yl]-(4-methylphenyl)methanone
CID 1481126
(2-ethylcyclohexyl) 4-methylbenzoate
CID 577069
trans-(1S,2S)-2-(4-methoxybenzoyl)cyclohexane-1-carboxylic acid
CID 36688340
cis-(1R,2S)-2-(4-fluorobenzoyl)cyclohexane-1-carboxylic acid
CID 2725092
cyclopenta-2,4-dien-1-yl-(4-methylphenyl)methanone
CID 15327731
1-azabicyclo[2.2.2]octan-3-yl-(4-methylphenyl)methanone chloride
CID 53312619
(4-methylphenyl)-(oxetan-2-yl)methanone
CID 144956572
(2,2-difluorocyclopropyl)-(4-methylphenyl)methanone
CID 121222554

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylbenzoyl)cyclohexyl] formate?
The IUPAC name of [2-(4-methylbenzoyl)cyclohexyl] formate (CID 57314256) is [2-(4-methylbenzoyl)cyclohexyl] formate.
What is the SMILES notation for [2-(4-methylbenzoyl)cyclohexyl] formate?
The canonical SMILES for [2-(4-methylbenzoyl)cyclohexyl] formate is Cc1ccc(C(=O)C2CCCCC2OC=O)cc1.
What is the InChIKey of [2-(4-methylbenzoyl)cyclohexyl] formate?
The InChIKey is SSYGHJAPMWDBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-11-6-8-12(9-7-11)15(17)13-4-2-3-5-14(13)18-10-16/h6-10,13-14H,2-5H2,1H3.
What are the key properties of [2-(4-methylbenzoyl)cyclohexyl] formate?
[2-(4-methylbenzoyl)cyclohexyl] formate has a molecular weight of 246.31 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylbenzoyl)cyclohexyl] formate is sourced from PubChem (CID 57314256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).