methyl 4-cyclohexyl-3-methylbenzoate

C15H20O2 — CID 126540400

IUPACmethyl 4-cyclohexyl-3-methylbenzoate
SMILESCOC(=O)c1ccc(C2CCCCC2)c(C)c1
InChIInChI=1S/C15H20O2/c1-11-10-13(15(16)17-2)8-9-14(11)12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3
InChIKeyPISZIUMSNHSVEL-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.83
Rot. Bonds2

About methyl 4-cyclohexyl-3-methylbenzoate

methyl 4-cyclohexyl-3-methylbenzoate (PubChem CID 126540400) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is methyl 4-cyclohexyl-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-cyclohexyl-3-methylbenzoate
PubChem CID126540400
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Namemethyl 4-cyclohexyl-3-methylbenzoate
SMILESCOC(=O)c1ccc(C2CCCCC2)c(C)c1
InChIInChI=1S/C15H20O2/c1-11-10-13(15(16)17-2)8-9-14(11)12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3
InChIKeyPISZIUMSNHSVEL-UHFFFAOYSA-N
XLogP3.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 4-cyclohexyl-3-methylbenzoate 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

methyl 3-methyl-4-(oxan-4-yl)benzoate
CID 163758903
methyl 3-methyl-4-(oxiran-2-yl)benzoate
CID 176562012
methyl 3-cyclohexylbenzoate
CID 67160762
1-O-cyclohexyl 4-O-methyl 2-methylbenzene-1,4-dicarboxylate
CID 170164863
methyl 4-(cyclopentylamino)-3-methylbenzoate
CID 43730521
methyl 4-cycloheptyl-2-methylbenzoate
CID 135331828
4-O-[2-cyclohexyl-4-[(3-cyclohexyl-4-methylphenyl)methyl]phenyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 22898042
methyl 2-cyclobutyl-6-methylbenzoate
CID 144575018
methyl 4-(3-cyclohexylpropanoylamino)-3-methylbenzoate
CID 38091591
methyl 4-cyclopropyl-3-[methyl(oxido)amino]benzoate
CID 163773913
methyl 4-(1-cyclopentylethylamino)-3-methylbenzoate
CID 63445570
methyl 4-[1-(4-hydroxy-3-methylbenzoyl)pyrrolidin-2-yl]-3-methylbenzoate
CID 143664593

Frequently Asked Questions

What is the IUPAC name of methyl 4-cyclohexyl-3-methylbenzoate?
The IUPAC name of methyl 4-cyclohexyl-3-methylbenzoate (CID 126540400) is methyl 4-cyclohexyl-3-methylbenzoate.
What is the SMILES notation for methyl 4-cyclohexyl-3-methylbenzoate?
The canonical SMILES for methyl 4-cyclohexyl-3-methylbenzoate is COC(=O)c1ccc(C2CCCCC2)c(C)c1.
What is the InChIKey of methyl 4-cyclohexyl-3-methylbenzoate?
The InChIKey is PISZIUMSNHSVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-11-10-13(15(16)17-2)8-9-14(11)12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3.
What are the key properties of methyl 4-cyclohexyl-3-methylbenzoate?
methyl 4-cyclohexyl-3-methylbenzoate has a molecular weight of 232.32 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-cyclohexyl-3-methylbenzoate is sourced from PubChem (CID 126540400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).