3-hydroxy-3-phenylcyclopentane-1-carboxylic acid

C12H14O3 — CID 102568744

IUPAC3-hydroxy-3-phenylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(O)(c2ccccc2)C1
InChIInChI=1S/C12H14O3/c13-11(14)9-6-7-12(15,8-9)10-4-2-1-3-5-10/h1-5,9,15H,6-8H2,(H,13,14)
InChIKeyXYSFWCWXJQTOPP-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.76
Rot. Bonds2

About 3-hydroxy-3-phenylcyclopentane-1-carboxylic acid

3-hydroxy-3-phenylcyclopentane-1-carboxylic acid (PubChem CID 102568744) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-hydroxy-3-phenylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-3-phenylcyclopentane-1-carboxylic acid
PubChem CID102568744
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name3-hydroxy-3-phenylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(O)(c2ccccc2)C1
InChIInChI=1S/C12H14O3/c13-11(14)9-6-7-12(15,8-9)10-4-2-1-3-5-10/h1-5,9,15H,6-8H2,(H,13,14)
InChIKeyXYSFWCWXJQTOPP-UHFFFAOYSA-N
XLogP1.76
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-phenylcyclopentane-1-carboxylic acid?
The IUPAC name of 3-hydroxy-3-phenylcyclopentane-1-carboxylic acid (CID 102568744) is 3-hydroxy-3-phenylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-hydroxy-3-phenylcyclopentane-1-carboxylic acid?
The canonical SMILES for 3-hydroxy-3-phenylcyclopentane-1-carboxylic acid is O=C(O)C1CCC(O)(c2ccccc2)C1.
What is the InChIKey of 3-hydroxy-3-phenylcyclopentane-1-carboxylic acid?
The InChIKey is XYSFWCWXJQTOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c13-11(14)9-6-7-12(15,8-9)10-4-2-1-3-5-10/h1-5,9,15H,6-8H2,(H,13,14).
What are the key properties of 3-hydroxy-3-phenylcyclopentane-1-carboxylic acid?
3-hydroxy-3-phenylcyclopentane-1-carboxylic acid has a molecular weight of 206.24 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-phenylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 102568744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).