3-oxo-1-phenylcyclopentane-1-carboxylic acid

C12H12O3 — CID 655176

IUPAC3-oxo-1-phenylcyclopentane-1-carboxylic acid
SMILESO=C1CCC(C(=O)O)(c2ccccc2)C1
InChIInChI=1S/C12H12O3/c13-10-6-7-12(8-10,11(14)15)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,14,15)
InChIKeyGZFDVSDSPLDDJS-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.76
Rot. Bonds2

About 3-oxo-1-phenylcyclopentane-1-carboxylic acid

3-oxo-1-phenylcyclopentane-1-carboxylic acid (PubChem CID 655176) has the molecular formula C12H12O3 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-oxo-1-phenylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-oxo-1-phenylcyclopentane-1-carboxylic acid
PubChem CID655176
Molecular FormulaC12H12O3
Molecular Weight204.23 g/mol
Exact Mass204.08
IUPAC Name3-oxo-1-phenylcyclopentane-1-carboxylic acid
SMILESO=C1CCC(C(=O)O)(c2ccccc2)C1
InChIInChI=1S/C12H12O3/c13-10-6-7-12(8-10,11(14)15)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,14,15)
InChIKeyGZFDVSDSPLDDJS-UHFFFAOYSA-N
XLogP1.76
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-1-phenylcyclopentane-1-carboxylic acid?
The IUPAC name of 3-oxo-1-phenylcyclopentane-1-carboxylic acid (CID 655176) is 3-oxo-1-phenylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-oxo-1-phenylcyclopentane-1-carboxylic acid?
The canonical SMILES for 3-oxo-1-phenylcyclopentane-1-carboxylic acid is O=C1CCC(C(=O)O)(c2ccccc2)C1.
What is the InChIKey of 3-oxo-1-phenylcyclopentane-1-carboxylic acid?
The InChIKey is GZFDVSDSPLDDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c13-10-6-7-12(8-10,11(14)15)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,14,15).
What are the key properties of 3-oxo-1-phenylcyclopentane-1-carboxylic acid?
3-oxo-1-phenylcyclopentane-1-carboxylic acid has a molecular weight of 204.23 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-1-phenylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 655176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).