1-(4-hydroxybenzoyl)cyclopentane-1-carboxylic acid

C13H14O4 — CID 105494111

IUPAC1-(4-hydroxybenzoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)c2ccc(O)cc2)CCCC1
InChIInChI=1S/C13H14O4/c14-10-5-3-9(4-6-10)11(15)13(12(16)17)7-1-2-8-13/h3-6,14H,1-2,7-8H2,(H,16,17)
InChIKeyPXSNWZYWFMZXQQ-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.22
Rot. Bonds3

About 1-(4-hydroxybenzoyl)cyclopentane-1-carboxylic acid

1-(4-hydroxybenzoyl)cyclopentane-1-carboxylic acid (PubChem CID 105494111) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is 1-(4-hydroxybenzoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-hydroxybenzoyl)cyclopentane-1-carboxylic acid
PubChem CID105494111
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name1-(4-hydroxybenzoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)c2ccc(O)cc2)CCCC1
InChIInChI=1S/C13H14O4/c14-10-5-3-9(4-6-10)11(15)13(12(16)17)7-1-2-8-13/h3-6,14H,1-2,7-8H2,(H,16,17)
InChIKeyPXSNWZYWFMZXQQ-UHFFFAOYSA-N
XLogP2.22
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxybenzoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(4-hydroxybenzoyl)cyclopentane-1-carboxylic acid (CID 105494111) is 1-(4-hydroxybenzoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(4-hydroxybenzoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(4-hydroxybenzoyl)cyclopentane-1-carboxylic acid is O=C(O)C1(C(=O)c2ccc(O)cc2)CCCC1.
What is the InChIKey of 1-(4-hydroxybenzoyl)cyclopentane-1-carboxylic acid?
The InChIKey is PXSNWZYWFMZXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c14-10-5-3-9(4-6-10)11(15)13(12(16)17)7-1-2-8-13/h3-6,14H,1-2,7-8H2,(H,16,17).
What are the key properties of 1-(4-hydroxybenzoyl)cyclopentane-1-carboxylic acid?
1-(4-hydroxybenzoyl)cyclopentane-1-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxybenzoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 105494111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).