(3-hydroxyphenyl) 3-cyclopentylpropanoate

C14H18O3 — CID 91704521

IUPAC(3-hydroxyphenyl) 3-cyclopentylpropanoate
SMILESO=C(CCC1CCCC1)Oc1cccc(O)c1
InChIInChI=1S/C14H18O3/c15-12-6-3-7-13(10-12)17-14(16)9-8-11-4-1-2-5-11/h3,6-7,10-11,15H,1-2,4-5,8-9H2
InChIKeyATTJCMMVJOBMAD-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.27
Rot. Bonds4

About (3-hydroxyphenyl) 3-cyclopentylpropanoate

(3-hydroxyphenyl) 3-cyclopentylpropanoate (PubChem CID 91704521) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is (3-hydroxyphenyl) 3-cyclopentylpropanoate.

Molecular Properties

Compound Name(3-hydroxyphenyl) 3-cyclopentylpropanoate
PubChem CID91704521
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name(3-hydroxyphenyl) 3-cyclopentylpropanoate
SMILESO=C(CCC1CCCC1)Oc1cccc(O)c1
InChIInChI=1S/C14H18O3/c15-12-6-3-7-13(10-12)17-14(16)9-8-11-4-1-2-5-11/h3,6-7,10-11,15H,1-2,4-5,8-9H2
InChIKeyATTJCMMVJOBMAD-UHFFFAOYSA-N
XLogP3.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3-hydroxyphenyl) 3-cyclopentylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl) 3-cyclopentylpropanoate?
The IUPAC name of (3-hydroxyphenyl) 3-cyclopentylpropanoate (CID 91704521) is (3-hydroxyphenyl) 3-cyclopentylpropanoate.
What is the SMILES notation for (3-hydroxyphenyl) 3-cyclopentylpropanoate?
The canonical SMILES for (3-hydroxyphenyl) 3-cyclopentylpropanoate is O=C(CCC1CCCC1)Oc1cccc(O)c1.
What is the InChIKey of (3-hydroxyphenyl) 3-cyclopentylpropanoate?
The InChIKey is ATTJCMMVJOBMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c15-12-6-3-7-13(10-12)17-14(16)9-8-11-4-1-2-5-11/h3,6-7,10-11,15H,1-2,4-5,8-9H2.
What are the key properties of (3-hydroxyphenyl) 3-cyclopentylpropanoate?
(3-hydroxyphenyl) 3-cyclopentylpropanoate has a molecular weight of 234.30 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenyl) 3-cyclopentylpropanoate is sourced from PubChem (CID 91704521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).