methyl 2-(5-cyclopentyl-2-methylphenoxy)acetate

C15H20O3 — CID 165142972

IUPACmethyl 2-(5-cyclopentyl-2-methylphenoxy)acetate
SMILESCOC(=O)COc1cc(C2CCCC2)ccc1C
InChIInChI=1S/C15H20O3/c1-11-7-8-13(12-5-3-4-6-12)9-14(11)18-10-15(16)17-2/h7-9,12H,3-6,10H2,1-2H3
InChIKeyHKARNATWSFUBLG-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.20
Rot. Bonds4

About methyl 2-(5-cyclopentyl-2-methylphenoxy)acetate

methyl 2-(5-cyclopentyl-2-methylphenoxy)acetate (PubChem CID 165142972) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is methyl 2-(5-cyclopentyl-2-methylphenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(5-cyclopentyl-2-methylphenoxy)acetate
PubChem CID165142972
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Namemethyl 2-(5-cyclopentyl-2-methylphenoxy)acetate
SMILESCOC(=O)COc1cc(C2CCCC2)ccc1C
InChIInChI=1S/C15H20O3/c1-11-7-8-13(12-5-3-4-6-12)9-14(11)18-10-15(16)17-2/h7-9,12H,3-6,10H2,1-2H3
InChIKeyHKARNATWSFUBLG-UHFFFAOYSA-N
XLogP3.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-(5-cyclopentyl-2-methylphenoxy)acetate 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 2-(2,5-dimethylphenoxy)acetate
CID 729953
methyl 2-(5-amino-2-methylphenoxy)acetate
CID 43520245
(2S,3S)-2,3-dihydroxybutanedioic acid;ethyl 2-(2-methyl-5-piperidin-3-ylphenoxy)acetate
CID 68882793
methyl 4-cycloheptyl-2-methylbenzoate
CID 135331828
methyl 2-(4-cycloheptylphenyl)acetate
CID 54417181
4-cyclopropyl-2-methoxy-1-methylbenzene;ethane
CID 168942546
methyl 2-(3-cyclohexylphenyl)acetate
CID 54492960
ethyl 2-(5-cyclopentyl-2-methoxyphenyl)-2-hydroxyacetate
CID 117446205
methyl 2-[(4-cyclopentylbenzoyl)amino]acetate
CID 110487395
N-cyclopropyl-2-(2,5-dimethylphenoxy)acetamide
CID 4113350
methyl 2-(4-chlorosulfonyl-2,5-dimethylphenoxy)acetate
CID 99109854
acetylene;methyl 2-[4-[2-methyl-4-[4-(4-methylcyclohexyl)phenyl]phenyl]phenoxy]acetate
CID 144549609

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-cyclopentyl-2-methylphenoxy)acetate?
The IUPAC name of methyl 2-(5-cyclopentyl-2-methylphenoxy)acetate (CID 165142972) is methyl 2-(5-cyclopentyl-2-methylphenoxy)acetate.
What is the SMILES notation for methyl 2-(5-cyclopentyl-2-methylphenoxy)acetate?
The canonical SMILES for methyl 2-(5-cyclopentyl-2-methylphenoxy)acetate is COC(=O)COc1cc(C2CCCC2)ccc1C.
What is the InChIKey of methyl 2-(5-cyclopentyl-2-methylphenoxy)acetate?
The InChIKey is HKARNATWSFUBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-11-7-8-13(12-5-3-4-6-12)9-14(11)18-10-15(16)17-2/h7-9,12H,3-6,10H2,1-2H3.
What are the key properties of methyl 2-(5-cyclopentyl-2-methylphenoxy)acetate?
methyl 2-(5-cyclopentyl-2-methylphenoxy)acetate has a molecular weight of 248.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-cyclopentyl-2-methylphenoxy)acetate is sourced from PubChem (CID 165142972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).