(3-hydroxyphenyl) cyclopentanecarboxylate

C12H14O3 — CID 91695070

IUPAC(3-hydroxyphenyl) cyclopentanecarboxylate
SMILESO=C(Oc1cccc(O)c1)C1CCCC1
InChIInChI=1S/C12H14O3/c13-10-6-3-7-11(8-10)15-12(14)9-4-1-2-5-9/h3,6-9,13H,1-2,4-5H2
InChIKeyWIJVIFHDUFWDLQ-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.49
Rot. Bonds2

About (3-hydroxyphenyl) cyclopentanecarboxylate

(3-hydroxyphenyl) cyclopentanecarboxylate (PubChem CID 91695070) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (3-hydroxyphenyl) cyclopentanecarboxylate.

Molecular Properties

Compound Name(3-hydroxyphenyl) cyclopentanecarboxylate
PubChem CID91695070
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(3-hydroxyphenyl) cyclopentanecarboxylate
SMILESO=C(Oc1cccc(O)c1)C1CCCC1
InChIInChI=1S/C12H14O3/c13-10-6-3-7-11(8-10)15-12(14)9-4-1-2-5-9/h3,6-9,13H,1-2,4-5H2
InChIKeyWIJVIFHDUFWDLQ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl) cyclopentanecarboxylate?
The IUPAC name of (3-hydroxyphenyl) cyclopentanecarboxylate (CID 91695070) is (3-hydroxyphenyl) cyclopentanecarboxylate.
What is the SMILES notation for (3-hydroxyphenyl) cyclopentanecarboxylate?
The canonical SMILES for (3-hydroxyphenyl) cyclopentanecarboxylate is O=C(Oc1cccc(O)c1)C1CCCC1.
What is the InChIKey of (3-hydroxyphenyl) cyclopentanecarboxylate?
The InChIKey is WIJVIFHDUFWDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c13-10-6-3-7-11(8-10)15-12(14)9-4-1-2-5-9/h3,6-9,13H,1-2,4-5H2.
What are the key properties of (3-hydroxyphenyl) cyclopentanecarboxylate?
(3-hydroxyphenyl) cyclopentanecarboxylate 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 (3-hydroxyphenyl) cyclopentanecarboxylate is sourced from PubChem (CID 91695070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).