methyl 1-(4-methylphenyl)cyclopentane-1-carboxylate

C14H18O2 — CID 59175396

IUPACmethyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(c2ccc(C)cc2)CCCC1
InChIInChI=1S/C14H18O2/c1-11-5-7-12(8-6-11)14(13(15)16-2)9-3-4-10-14/h5-8H,3-4,9-10H2,1-2H3
InChIKeyJCZIMWWXXFZEDV-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.98
Rot. Bonds2

About methyl 1-(4-methylphenyl)cyclopentane-1-carboxylate

methyl 1-(4-methylphenyl)cyclopentane-1-carboxylate (PubChem CID 59175396) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is methyl 1-(4-methylphenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
PubChem CID59175396
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Namemethyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(c2ccc(C)cc2)CCCC1
InChIInChI=1S/C14H18O2/c1-11-5-7-12(8-6-11)14(13(15)16-2)9-3-4-10-14/h5-8H,3-4,9-10H2,1-2H3
InChIKeyJCZIMWWXXFZEDV-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
CID 15029975
methyl (3R)-3-(4-methylphenyl)pyrrolidine-3-carboxylate
CID 169447954
methyl 1-(6-methylnaphthalen-2-yl)cyclobutane-1-carboxylate
CID 116963948
methyl 1-(3-methylphenyl)cyclobutane-1-carboxylate
CID 112724218
CID 89411850
CID 89411850
methyl 1-(4-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylate
CID 146506690
1-(4-methylphenyl)cyclobutane-1-carboxylic acid
CID 23295038
ethyl 1-(4-methylphenyl)cyclopropane-1-carboxylate
CID 105456293
2-(methylamino)-1-[1-(4-methylphenyl)cyclopentyl]ethanone
CID 59019872
(1-methylpiperidin-4-yl) 1-(4-methylphenyl)cyclobutane-1-carboxylate
CID 23295066
methyl 1-(3,4-difluorophenyl)cyclobutane-1-carboxylate
CID 116963872
1-[1-(4-methylphenyl)cyclobutyl]propane-1,2-dione
CID 122222517

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-methylphenyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(4-methylphenyl)cyclopentane-1-carboxylate (CID 59175396) is methyl 1-(4-methylphenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(4-methylphenyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(4-methylphenyl)cyclopentane-1-carboxylate is COC(=O)C1(c2ccc(C)cc2)CCCC1.
What is the InChIKey of methyl 1-(4-methylphenyl)cyclopentane-1-carboxylate?
The InChIKey is JCZIMWWXXFZEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-11-5-7-12(8-6-11)14(13(15)16-2)9-3-4-10-14/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of methyl 1-(4-methylphenyl)cyclopentane-1-carboxylate?
methyl 1-(4-methylphenyl)cyclopentane-1-carboxylate has a molecular weight of 218.30 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-methylphenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 59175396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).