methyl 2-(3-cyclohexylphenyl)acetate

C15H20O2 — CID 54492960

IUPACmethyl 2-(3-cyclohexylphenyl)acetate
SMILESCOC(=O)Cc1cccc(C2CCCCC2)c1
InChIInChI=1S/C15H20O2/c1-17-15(16)11-12-6-5-9-14(10-12)13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3
InChIKeyXXBJSMWWMKJUJA-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.45
Rot. Bonds3

About methyl 2-(3-cyclohexylphenyl)acetate

methyl 2-(3-cyclohexylphenyl)acetate (PubChem CID 54492960) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is methyl 2-(3-cyclohexylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-cyclohexylphenyl)acetate
PubChem CID54492960
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Namemethyl 2-(3-cyclohexylphenyl)acetate
SMILESCOC(=O)Cc1cccc(C2CCCCC2)c1
InChIInChI=1S/C15H20O2/c1-17-15(16)11-12-6-5-9-14(10-12)13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3
InChIKeyXXBJSMWWMKJUJA-UHFFFAOYSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 2-(3-cyclohexylphenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-cyclohexylphenyl)acetate?
The IUPAC name of methyl 2-(3-cyclohexylphenyl)acetate (CID 54492960) is methyl 2-(3-cyclohexylphenyl)acetate.
What is the SMILES notation for methyl 2-(3-cyclohexylphenyl)acetate?
The canonical SMILES for methyl 2-(3-cyclohexylphenyl)acetate is COC(=O)Cc1cccc(C2CCCCC2)c1.
What is the InChIKey of methyl 2-(3-cyclohexylphenyl)acetate?
The InChIKey is XXBJSMWWMKJUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-17-15(16)11-12-6-5-9-14(10-12)13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3.
What are the key properties of methyl 2-(3-cyclohexylphenyl)acetate?
methyl 2-(3-cyclohexylphenyl)acetate has a molecular weight of 232.32 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-cyclohexylphenyl)acetate is sourced from PubChem (CID 54492960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).