cyclohexyl 2-formyloxybenzoate

C14H16O4 — CID 54103583

IUPACcyclohexyl 2-formyloxybenzoate
SMILESO=COc1ccccc1C(=O)OC1CCCCC1
InChIInChI=1S/C14H16O4/c15-10-17-13-9-5-4-8-12(13)14(16)18-11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2
InChIKeyVBGWXMBDELOCHN-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.71
Rot. Bonds4

About cyclohexyl 2-formyloxybenzoate

cyclohexyl 2-formyloxybenzoate (PubChem CID 54103583) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is cyclohexyl 2-formyloxybenzoate.

Molecular Properties

Compound Namecyclohexyl 2-formyloxybenzoate
PubChem CID54103583
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Namecyclohexyl 2-formyloxybenzoate
SMILESO=COc1ccccc1C(=O)OC1CCCCC1
InChIInChI=1S/C14H16O4/c15-10-17-13-9-5-4-8-12(13)14(16)18-11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2
InChIKeyVBGWXMBDELOCHN-UHFFFAOYSA-N
XLogP2.71
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dicyclohexyl benzene-1,2-dicarboxylate;methane
CID 160634913
1-O-cyclohexyl 2-O-(2-methylphenyl) benzene-1,2-dicarboxylate
CID 6423695
cyclohexyl 2-aminobenzoate
CID 24510
dicyclohexyl benzene-1,2-dicarboxylate;2-methoxy-2-methylpropane
CID 67920128
cyclopentyl 2-aminobenzoate;hydrochloride
CID 138987389
cyclohexyl 2-(trifluoromethyl)benzoate
CID 599398
cyclohexyl 2-(methylamino)benzoate
CID 61278808
methyl 2-cyclohexyloxybenzoate
CID 11345342
cyclopentyl 2-(methylamino)benzoate
CID 61278607
cyclopentyl 2-(trifluoromethyl)benzoate
CID 599391
cyclohexyl 2-carbamimidoylbenzoate
CID 154364021
cyclohexyl 2-methoxybenzenecarboperoxoate
CID 173268005

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-formyloxybenzoate?
The IUPAC name of cyclohexyl 2-formyloxybenzoate (CID 54103583) is cyclohexyl 2-formyloxybenzoate.
What is the SMILES notation for cyclohexyl 2-formyloxybenzoate?
The canonical SMILES for cyclohexyl 2-formyloxybenzoate is O=COc1ccccc1C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-formyloxybenzoate?
The InChIKey is VBGWXMBDELOCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c15-10-17-13-9-5-4-8-12(13)14(16)18-11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2.
What are the key properties of cyclohexyl 2-formyloxybenzoate?
cyclohexyl 2-formyloxybenzoate has a molecular weight of 248.28 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-formyloxybenzoate is sourced from PubChem (CID 54103583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).