[2-(2,4-dihydroxyphenyl)-2-oxoethyl] cyclopentanecarboxylate

C14H16O5 — CID 27912053

IUPAC[2-(2,4-dihydroxyphenyl)-2-oxoethyl] cyclopentanecarboxylate
SMILESO=C(COC(=O)C1CCCC1)c1ccc(O)cc1O
InChIInChI=1S/C14H16O5/c15-10-5-6-11(12(16)7-10)13(17)8-19-14(18)9-3-1-2-4-9/h5-7,9,15-16H,1-4,8H2
InChIKeyUPALCLZTVPDFHS-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.01
Rot. Bonds4

About [2-(2,4-dihydroxyphenyl)-2-oxoethyl] cyclopentanecarboxylate

[2-(2,4-dihydroxyphenyl)-2-oxoethyl] cyclopentanecarboxylate (PubChem CID 27912053) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is [2-(2,4-dihydroxyphenyl)-2-oxoethyl] cyclopentanecarboxylate.

Molecular Properties

Compound Name[2-(2,4-dihydroxyphenyl)-2-oxoethyl] cyclopentanecarboxylate
PubChem CID27912053
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Name[2-(2,4-dihydroxyphenyl)-2-oxoethyl] cyclopentanecarboxylate
SMILESO=C(COC(=O)C1CCCC1)c1ccc(O)cc1O
InChIInChI=1S/C14H16O5/c15-10-5-6-11(12(16)7-10)13(17)8-19-14(18)9-3-1-2-4-9/h5-7,9,15-16H,1-4,8H2
InChIKeyUPALCLZTVPDFHS-UHFFFAOYSA-N
XLogP2.01
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(2,4-dihydroxyphenyl)-2-oxoethyl] cyclopentanecarboxylate 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 [2-(2,4-dihydroxyphenyl)-2-oxoethyl] cyclopentanecarboxylate?
The IUPAC name of [2-(2,4-dihydroxyphenyl)-2-oxoethyl] cyclopentanecarboxylate (CID 27912053) is [2-(2,4-dihydroxyphenyl)-2-oxoethyl] cyclopentanecarboxylate.
What is the SMILES notation for [2-(2,4-dihydroxyphenyl)-2-oxoethyl] cyclopentanecarboxylate?
The canonical SMILES for [2-(2,4-dihydroxyphenyl)-2-oxoethyl] cyclopentanecarboxylate is O=C(COC(=O)C1CCCC1)c1ccc(O)cc1O.
What is the InChIKey of [2-(2,4-dihydroxyphenyl)-2-oxoethyl] cyclopentanecarboxylate?
The InChIKey is UPALCLZTVPDFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O5/c15-10-5-6-11(12(16)7-10)13(17)8-19-14(18)9-3-1-2-4-9/h5-7,9,15-16H,1-4,8H2.
What are the key properties of [2-(2,4-dihydroxyphenyl)-2-oxoethyl] cyclopentanecarboxylate?
[2-(2,4-dihydroxyphenyl)-2-oxoethyl] cyclopentanecarboxylate has a molecular weight of 264.28 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dihydroxyphenyl)-2-oxoethyl] cyclopentanecarboxylate is sourced from PubChem (CID 27912053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).