(1R,3S,4R)-2,2,3-trimethyl-4-phenylcyclopentane-1-carboxylic acid

C15H20O2 — CID 24982159

IUPAC(1R,3S,4R)-2,2,3-trimethyl-4-phenylcyclopentane-1-carboxylic acid
SMILESC[C@H]1[C@H](c2ccccc2)C[C@@H](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)/t10-,12+,13-/m0/s1
InChIKeyYANDMRONFZDPSQ-UHTWSYAYSA-N
MW232.32 g/mol
LogP3.54
Rot. Bonds2

About (1R,3S,4R)-2,2,3-trimethyl-4-phenylcyclopentane-1-carboxylic acid

(1R,3S,4R)-2,2,3-trimethyl-4-phenylcyclopentane-1-carboxylic acid (PubChem CID 24982159) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (1R,3S,4R)-2,2,3-trimethyl-4-phenylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1R,3S,4R)-2,2,3-trimethyl-4-phenylcyclopentane-1-carboxylic acid
PubChem CID24982159
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(1R,3S,4R)-2,2,3-trimethyl-4-phenylcyclopentane-1-carboxylic acid
SMILESC[C@H]1[C@H](c2ccccc2)C[C@@H](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)/t10-,12+,13-/m0/s1
InChIKeyYANDMRONFZDPSQ-UHTWSYAYSA-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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Frequently Asked Questions

What is the IUPAC name of (1R,3S,4R)-2,2,3-trimethyl-4-phenylcyclopentane-1-carboxylic acid?
The IUPAC name of (1R,3S,4R)-2,2,3-trimethyl-4-phenylcyclopentane-1-carboxylic acid (CID 24982159) is (1R,3S,4R)-2,2,3-trimethyl-4-phenylcyclopentane-1-carboxylic acid.
What is the SMILES notation for (1R,3S,4R)-2,2,3-trimethyl-4-phenylcyclopentane-1-carboxylic acid?
The canonical SMILES for (1R,3S,4R)-2,2,3-trimethyl-4-phenylcyclopentane-1-carboxylic acid is C[C@H]1[C@H](c2ccccc2)C[C@@H](C(=O)O)C1(C)C.
What is the InChIKey of (1R,3S,4R)-2,2,3-trimethyl-4-phenylcyclopentane-1-carboxylic acid?
The InChIKey is YANDMRONFZDPSQ-UHTWSYAYSA-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)/t10-,12+,13-/m0/s1.
What are the key properties of (1R,3S,4R)-2,2,3-trimethyl-4-phenylcyclopentane-1-carboxylic acid?
(1R,3S,4R)-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 (1R,3S,4R)-2,2,3-trimethyl-4-phenylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 24982159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).