2-phenylpropanoic acid;rubidium(1+)

C9H9O2Rb — CID 173488254

IUPAC2-phenylpropanoic acid;rubidium(1+)
SMILESC[C-](C(=O)O)c1ccccc1.[Rb+]
InChIInChI=1S/C9H9O2.Rb/c1-7(9(10)11)8-5-3-2-4-6-8;/h2-6H,1H3,(H,10,11);/q-1;+1
InChIKeyAKBYKLQYNLJEMT-UHFFFAOYSA-N
MW234.64 g/mol
LogP-1.28
Rot. Bonds2

About 2-phenylpropanoic acid;rubidium(1+)

2-phenylpropanoic acid;rubidium(1+) (PubChem CID 173488254) has the molecular formula C9H9O2Rb and a molecular weight of 234.64 g/mol. Its IUPAC name is 2-phenylpropanoic acid;rubidium(1+).

Molecular Properties

Compound Name2-phenylpropanoic acid;rubidium(1+)
PubChem CID173488254
Molecular FormulaC9H9O2Rb
Molecular Weight234.64 g/mol
Exact Mass233.97
IUPAC Name2-phenylpropanoic acid;rubidium(1+)
SMILESC[C-](C(=O)O)c1ccccc1.[Rb+]
InChIInChI=1S/C9H9O2.Rb/c1-7(9(10)11)8-5-3-2-4-6-8;/h2-6H,1H3,(H,10,11);/q-1;+1
InChIKeyAKBYKLQYNLJEMT-UHFFFAOYSA-N
XLogP-1.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.64
LogP ≤ 5-1.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-phenylpropanoic acid;rubidium(1+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenylethylbenzene;tungsten
CID 59887393
sodium;1-phenylethylbenzene;sulfuric acid
CID 175416175
potassium;benzoic acid;2-methylpropane
CID 118589563
magnesium;propan-2-ylbenzene;chloride
CID 14168514
1-phenylethanamine
CID 59898296
phenol;propan-2-one;hydrate
CID 161159865
acetic acid;toluene;hydrate
CID 158738724
acetic acid;diphenylmethanone;hydrate
CID 161284686
CID 174469049
CID 174469049
1-phenylethanone;hydrate;hydrochloride
CID 21258111
benzoic acid;trihydrate
CID 157398339
lithium 1-(benzenesulfonyl)ethylbenzene
CID 11470743

Frequently Asked Questions

What is the IUPAC name of 2-phenylpropanoic acid;rubidium(1+)?
The IUPAC name of 2-phenylpropanoic acid;rubidium(1+) (CID 173488254) is 2-phenylpropanoic acid;rubidium(1+).
What is the SMILES notation for 2-phenylpropanoic acid;rubidium(1+)?
The canonical SMILES for 2-phenylpropanoic acid;rubidium(1+) is C[C-](C(=O)O)c1ccccc1.[Rb+].
What is the InChIKey of 2-phenylpropanoic acid;rubidium(1+)?
The InChIKey is AKBYKLQYNLJEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9O2.Rb/c1-7(9(10)11)8-5-3-2-4-6-8;/h2-6H,1H3,(H,10,11);/q-1;+1.
What are the key properties of 2-phenylpropanoic acid;rubidium(1+)?
2-phenylpropanoic acid;rubidium(1+) has a molecular weight of 234.64 g/mol, XLogP of -1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpropanoic acid;rubidium(1+) is sourced from PubChem (CID 173488254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).