methyl 4-(2-methylcyclopentyl)benzoate

C14H18O2 — CID 138974575

IUPACmethyl 4-(2-methylcyclopentyl)benzoate
SMILESCOC(=O)c1ccc(C2CCCC2C)cc1
InChIInChI=1S/C14H18O2/c1-10-4-3-5-13(10)11-6-8-12(9-7-11)14(15)16-2/h6-10,13H,3-5H2,1-2H3
InChIKeyFGKIQIVXFHOYNZ-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.38
Rot. Bonds2

About methyl 4-(2-methylcyclopentyl)benzoate

methyl 4-(2-methylcyclopentyl)benzoate (PubChem CID 138974575) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is methyl 4-(2-methylcyclopentyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(2-methylcyclopentyl)benzoate
PubChem CID138974575
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Namemethyl 4-(2-methylcyclopentyl)benzoate
SMILESCOC(=O)c1ccc(C2CCCC2C)cc1
InChIInChI=1S/C14H18O2/c1-10-4-3-5-13(10)11-6-8-12(9-7-11)14(15)16-2/h6-10,13H,3-5H2,1-2H3
InChIKeyFGKIQIVXFHOYNZ-UHFFFAOYSA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-fluoro-5-[(1S,2S)-2-methylcyclohexyl]benzoate
CID 58617168
methyl 4-[2-(fluorocarbamoyl)cyclobutyl]benzoate
CID 153453943
methyl 4-[[(2-methylcyclopentyl)methylamino]methyl]benzoate
CID 107416889
N-[4-[(1S,2S)-2-methylcyclohexyl]phenyl]acetamide
CID 826163
methyl 4-[(2S,5R)-2-hydroxy-5-methoxycyclohexyl]benzoate
CID 176958081
methyl 4-[(3aR,7aR)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-2-yl]benzoate
CID 102064566
3-fluoro-4-(4-methoxycarbonylphenyl)piperidine-1-carboxylic acid
CID 90341897
N-[4-(2-methylcyclopentyl)phenyl]formamide
CID 142068561
methyl 4-[(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)methyl]benzoate
CID 114512769
methyl 4-[3-(4-cyclohexylphenyl)-3-oxopropanoyl]benzoate
CID 67375575
methyl 4-[[(2S,3R)-1,2-dimethylpiperidin-3-yl]carbamoyl]benzoate
CID 97350843
ethane;methyl 4-bromobenzoate;methyl 4-cyclopropylbenzoate
CID 144872712

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-methylcyclopentyl)benzoate?
The IUPAC name of methyl 4-(2-methylcyclopentyl)benzoate (CID 138974575) is methyl 4-(2-methylcyclopentyl)benzoate.
What is the SMILES notation for methyl 4-(2-methylcyclopentyl)benzoate?
The canonical SMILES for methyl 4-(2-methylcyclopentyl)benzoate is COC(=O)c1ccc(C2CCCC2C)cc1.
What is the InChIKey of methyl 4-(2-methylcyclopentyl)benzoate?
The InChIKey is FGKIQIVXFHOYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-10-4-3-5-13(10)11-6-8-12(9-7-11)14(15)16-2/h6-10,13H,3-5H2,1-2H3.
What are the key properties of methyl 4-(2-methylcyclopentyl)benzoate?
methyl 4-(2-methylcyclopentyl)benzoate has a molecular weight of 218.30 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methylcyclopentyl)benzoate is sourced from PubChem (CID 138974575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).