methyl 4-(1-hydroxycyclopentyl)benzoate

C13H16O3 — CID 130120514

IUPACmethyl 4-(1-hydroxycyclopentyl)benzoate
SMILESCOC(=O)c1ccc(C2(O)CCCC2)cc1
InChIInChI=1S/C13H16O3/c1-16-12(14)10-4-6-11(7-5-10)13(15)8-2-3-9-13/h4-7,15H,2-3,8-9H2,1H3
InChIKeyMPNVWYZFPZFYLZ-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.23
Rot. Bonds2

About methyl 4-(1-hydroxycyclopentyl)benzoate

methyl 4-(1-hydroxycyclopentyl)benzoate (PubChem CID 130120514) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl 4-(1-hydroxycyclopentyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(1-hydroxycyclopentyl)benzoate
PubChem CID130120514
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Namemethyl 4-(1-hydroxycyclopentyl)benzoate
SMILESCOC(=O)c1ccc(C2(O)CCCC2)cc1
InChIInChI=1S/C13H16O3/c1-16-12(14)10-4-6-11(7-5-10)13(15)8-2-3-9-13/h4-7,15H,2-3,8-9H2,1H3
InChIKeyMPNVWYZFPZFYLZ-UHFFFAOYSA-N
XLogP2.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(1R,6R)-3-hydroxy-3-tricyclo[4.4.1.01,6]undecanyl]benzoate
CID 101088381
methyl 4-[1-(hydroxymethyl)cyclobutyl]benzoate
CID 164643853
methyl 4-(1-methylsulfonylcyclopropyl)benzoate
CID 165484033
methyl 3-(1-hydroxycyclopropyl)benzoate
CID 130756683
methyl 4-[1-hydroxy-4,4-bis[(4-methylphenyl)sulfonyloxymethyl]cyclohexyl]benzoate
CID 138585000
methyl 2-(1-hydroxycyclopentyl)-1H-indole-5-carboxylate
CID 86068017
methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]benzoate
CID 118564830
methyl 4-(2-methyloxiran-2-yl)benzoate
CID 121218659
methyl 4-[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]benzoate
CID 18277869
dimethyl benzene-1,4-dicarboxylate;urea
CID 138489958
methyl 4-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoate
CID 65112879
methyl 4-[4-(9-methyl-9-bicyclo[3.3.1]nonanyl)phenoxy]benzoate
CID 146325637

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-hydroxycyclopentyl)benzoate?
The IUPAC name of methyl 4-(1-hydroxycyclopentyl)benzoate (CID 130120514) is methyl 4-(1-hydroxycyclopentyl)benzoate.
What is the SMILES notation for methyl 4-(1-hydroxycyclopentyl)benzoate?
The canonical SMILES for methyl 4-(1-hydroxycyclopentyl)benzoate is COC(=O)c1ccc(C2(O)CCCC2)cc1.
What is the InChIKey of methyl 4-(1-hydroxycyclopentyl)benzoate?
The InChIKey is MPNVWYZFPZFYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-16-12(14)10-4-6-11(7-5-10)13(15)8-2-3-9-13/h4-7,15H,2-3,8-9H2,1H3.
What are the key properties of methyl 4-(1-hydroxycyclopentyl)benzoate?
methyl 4-(1-hydroxycyclopentyl)benzoate has a molecular weight of 220.27 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-hydroxycyclopentyl)benzoate is sourced from PubChem (CID 130120514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).