2-Phenylcyclopentane-1-carboxylic acid

C12H14O2 — CID 344795

IUPAC2-phenylcyclopentane-1-carboxylic acid
SMILESC1CC(C(C1)C(=O)O)C2=CC=CC=C2
InChIInChI=1S/C12H14O2/c13-12(14)11-8-4-7-10(11)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2,(H,13,14)
InChIKeyCINPEFPDYGSEDP-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.70
Rot. Bonds2

About 2-Phenylcyclopentane-1-carboxylic acid

2-Phenylcyclopentane-1-carboxylic acid (PubChem CID 344795) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-phenylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-Phenylcyclopentane-1-carboxylic acid
PubChem CID344795
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2-phenylcyclopentane-1-carboxylic acid
SMILESC1CC(C(C1)C(=O)O)C2=CC=CC=C2
InChIInChI=1S/C12H14O2/c13-12(14)11-8-4-7-10(11)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2,(H,13,14)
InChIKeyCINPEFPDYGSEDP-UHFFFAOYSA-N
XLogP2.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity206

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-Phenylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-Phenylcyclopentane-1-carboxylic acid (CID 344795) is 2-phenylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-Phenylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-Phenylcyclopentane-1-carboxylic acid is C1CC(C(C1)C(=O)O)C2=CC=CC=C2.
What is the InChIKey of 2-Phenylcyclopentane-1-carboxylic acid?
The InChIKey is CINPEFPDYGSEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c13-12(14)11-8-4-7-10(11)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2,(H,13,14).
What are the key properties of 2-Phenylcyclopentane-1-carboxylic acid?
2-Phenylcyclopentane-1-carboxylic acid has a molecular weight of 190.24 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Phenylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 344795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).