2,2,3-trimethyl-4-phenylcyclopentane-1-carboxylic acid

C15H20O2 — CID 4529220

IUPAC2,2,3-trimethyl-4-phenylcyclopentane-1-carboxylic acid
SMILESCC1C(c2ccccc2)CC(C(=O)O)C1(C)C
InChIInChI=1S/C15H20O2/c1-10-12(11-7-5-4-6-8-11)9-13(14(16)17)15(10,2)3/h4-8,10,12-13H,9H2,1-3H3,(H,16,17)
InChIKeyYANDMRONFZDPSQ-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.54
Rot. Bonds2

About 2,2,3-trimethyl-4-phenylcyclopentane-1-carboxylic acid

2,2,3-trimethyl-4-phenylcyclopentane-1-carboxylic acid (PubChem CID 4529220) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2,2,3-trimethyl-4-phenylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-4-phenylcyclopentane-1-carboxylic acid
PubChem CID4529220
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2,2,3-trimethyl-4-phenylcyclopentane-1-carboxylic acid
SMILESCC1C(c2ccccc2)CC(C(=O)O)C1(C)C
InChIInChI=1S/C15H20O2/c1-10-12(11-7-5-4-6-8-11)9-13(14(16)17)15(10,2)3/h4-8,10,12-13H,9H2,1-3H3,(H,16,17)
InChIKeyYANDMRONFZDPSQ-UHFFFAOYSA-N
XLogP3.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Ibuprofen, (+-)-
CID 3672
4-Phenylbutyric Acid
CID 4775
Benzenepropanoic acid
CID 107
Loxoprofen
CID 3965
Dexibuprofen
CID 39912
2-Phenylpropionic acid
CID 10296
Ibufenac
CID 15250
Ibuprofen, (-)-
CID 114864
Benzenepentanoic acid
CID 16757
2-Phenylbutyric Acid
CID 7012
Benzeneacetic acid, 4-(1,1-dimethylethyl)-
CID 118343
Diphenylpropionic acid
CID 64798

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-4-phenylcyclopentane-1-carboxylic acid?
The IUPAC name of 2,2,3-trimethyl-4-phenylcyclopentane-1-carboxylic acid (CID 4529220) is 2,2,3-trimethyl-4-phenylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2,2,3-trimethyl-4-phenylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2,2,3-trimethyl-4-phenylcyclopentane-1-carboxylic acid is CC1C(c2ccccc2)CC(C(=O)O)C1(C)C.
What is the InChIKey of 2,2,3-trimethyl-4-phenylcyclopentane-1-carboxylic acid?
The InChIKey is YANDMRONFZDPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-10-12(11-7-5-4-6-8-11)9-13(14(16)17)15(10,2)3/h4-8,10,12-13H,9H2,1-3H3,(H,16,17).
What are the key properties of 2,2,3-trimethyl-4-phenylcyclopentane-1-carboxylic acid?
2,2,3-trimethyl-4-phenylcyclopentane-1-carboxylic acid has a molecular weight of 232.32 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-4-phenylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 4529220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).