methyl 4-(2-cyclohexylethyl)benzoate

C16H22O2 — CID 134304144

IUPACmethyl 4-(2-cyclohexylethyl)benzoate
SMILESCOC(=O)c1ccc(CCC2CCCCC2)cc1
InChIInChI=1S/C16H22O2/c1-18-16(17)15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h9-13H,2-8H2,1H3
InChIKeyNLARKJLBCSXGRK-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.99
Rot. Bonds4

About methyl 4-(2-cyclohexylethyl)benzoate

methyl 4-(2-cyclohexylethyl)benzoate (PubChem CID 134304144) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is methyl 4-(2-cyclohexylethyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(2-cyclohexylethyl)benzoate
PubChem CID134304144
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Namemethyl 4-(2-cyclohexylethyl)benzoate
SMILESCOC(=O)c1ccc(CCC2CCCCC2)cc1
InChIInChI=1S/C16H22O2/c1-18-16(17)15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h9-13H,2-8H2,1H3
InChIKeyNLARKJLBCSXGRK-UHFFFAOYSA-N
XLogP3.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-(2-piperidin-3-ylethyl)benzoate
CID 126844861
methyl 4-[2-[cyclopentylmethyl(ethyl)amino]ethyl]benzoate
CID 167283875
methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate
CID 4063050
4-cyclohexylbutyl 4-propylbenzoate
CID 171776256
methyl 4-[2-[(N-cyclohexyl-N'-methylcarbamimidoyl)amino]ethyl]benzoate
CID 110958927
cyclohexylmethyl 4-(2-aminoethyl)benzoate
CID 55068002
methyl 4-(piperidin-3-ylmethyl)benzoate
CID 45074031
methyl 4-(3-cyclohexylpropanoylamino)-3-methylbenzoate
CID 38091591
methyl 4-[(4-cyclohexylphenyl)methylamino]benzoate
CID 67485130
ethyl 4-[2-(4-pentylcyclohexyl)ethyl]benzoate
CID 57323154
3-(4-methoxycarbonylphenyl)propanoic acid
CID 22716688
methyl 4-[2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]ethyl]benzoate
CID 46967029

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-cyclohexylethyl)benzoate?
The IUPAC name of methyl 4-(2-cyclohexylethyl)benzoate (CID 134304144) is methyl 4-(2-cyclohexylethyl)benzoate.
What is the SMILES notation for methyl 4-(2-cyclohexylethyl)benzoate?
The canonical SMILES for methyl 4-(2-cyclohexylethyl)benzoate is COC(=O)c1ccc(CCC2CCCCC2)cc1.
What is the InChIKey of methyl 4-(2-cyclohexylethyl)benzoate?
The InChIKey is NLARKJLBCSXGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-18-16(17)15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h9-13H,2-8H2,1H3.
What are the key properties of methyl 4-(2-cyclohexylethyl)benzoate?
methyl 4-(2-cyclohexylethyl)benzoate has a molecular weight of 246.35 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-cyclohexylethyl)benzoate is sourced from PubChem (CID 134304144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).