cyclopentyl 3-hydroxybenzoate

C12H14O3 — CID 82096879

IUPACcyclopentyl 3-hydroxybenzoate
SMILESO=C(OC1CCCC1)c1cccc(O)c1
InChIInChI=1S/C12H14O3/c13-10-5-3-4-9(8-10)12(14)15-11-6-1-2-7-11/h3-5,8,11,13H,1-2,6-7H2
InChIKeyJXXLDGYRRKRIPO-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.49
Rot. Bonds2

About cyclopentyl 3-hydroxybenzoate

cyclopentyl 3-hydroxybenzoate (PubChem CID 82096879) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is cyclopentyl 3-hydroxybenzoate.

Molecular Properties

Compound Namecyclopentyl 3-hydroxybenzoate
PubChem CID82096879
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Namecyclopentyl 3-hydroxybenzoate
SMILESO=C(OC1CCCC1)c1cccc(O)c1
InChIInChI=1S/C12H14O3/c13-10-5-3-4-9(8-10)12(14)15-11-6-1-2-7-11/h3-5,8,11,13H,1-2,6-7H2
InChIKeyJXXLDGYRRKRIPO-UHFFFAOYSA-N
XLogP2.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl 3-hydroxybenzoate?
The IUPAC name of cyclopentyl 3-hydroxybenzoate (CID 82096879) is cyclopentyl 3-hydroxybenzoate.
What is the SMILES notation for cyclopentyl 3-hydroxybenzoate?
The canonical SMILES for cyclopentyl 3-hydroxybenzoate is O=C(OC1CCCC1)c1cccc(O)c1.
What is the InChIKey of cyclopentyl 3-hydroxybenzoate?
The InChIKey is JXXLDGYRRKRIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c13-10-5-3-4-9(8-10)12(14)15-11-6-1-2-7-11/h3-5,8,11,13H,1-2,6-7H2.
What are the key properties of cyclopentyl 3-hydroxybenzoate?
cyclopentyl 3-hydroxybenzoate has a molecular weight of 206.24 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 3-hydroxybenzoate is sourced from PubChem (CID 82096879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).