2-phenylpropanoic acid;dihydrochloride

C9H12Cl2O2 — CID 162109025

IUPAC2-phenylpropanoic acid;dihydrochloride
SMILESCC(C(=O)O)c1ccccc1.Cl.Cl
InChIInChI=1S/C9H10O2.2ClH/c1-7(9(10)11)8-5-3-2-4-6-8;;/h2-7H,1H3,(H,10,11);2*1H
InChIKeyZFWZDHYZGCVGPP-UHFFFAOYSA-N
MW223.10 g/mol
LogP2.72
Rot. Bonds2

About 2-phenylpropanoic acid;dihydrochloride

2-phenylpropanoic acid;dihydrochloride (PubChem CID 162109025) has the molecular formula C9H12Cl2O2 and a molecular weight of 223.10 g/mol. Its IUPAC name is 2-phenylpropanoic acid;dihydrochloride.

Molecular Properties

Compound Name2-phenylpropanoic acid;dihydrochloride
PubChem CID162109025
Molecular FormulaC9H12Cl2O2
Molecular Weight223.10 g/mol
Exact Mass222.02
IUPAC Name2-phenylpropanoic acid;dihydrochloride
SMILESCC(C(=O)O)c1ccccc1.Cl.Cl
InChIInChI=1S/C9H10O2.2ClH/c1-7(9(10)11)8-5-3-2-4-6-8;;/h2-7H,1H3,(H,10,11);2*1H
InChIKeyZFWZDHYZGCVGPP-UHFFFAOYSA-N
XLogP2.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.10
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenylpropanoic acid;hydrate
CID 139796091
methane;(2R)-2-phenylpropanoic acid
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CID 143307414
ethane-1,2-diol;2-phenylpropanoic acid
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2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
ethoxyethane;2-phenylpropanoic acid
CID 174766454
2-(2-hydroxyethylamino)ethanol;2-phenylpropanoic acid
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2-(4-phenylsulfanylphenyl)propanoic acid
CID 67801946
2-(4-phenoxyphenyl)propanoic acid
CID 527817
(2R)-2-(4-hydroxyphenyl)propanoic acid;(1S)-1-phenylethanamine
CID 162087543
2-[3-[(S)-hydroxy(phenyl)methyl]phenyl]propanoic acid
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(2R)-2-(4-fluorophenyl)propanoic acid
CID 7005040

Frequently Asked Questions

What is the IUPAC name of 2-phenylpropanoic acid;dihydrochloride?
The IUPAC name of 2-phenylpropanoic acid;dihydrochloride (CID 162109025) is 2-phenylpropanoic acid;dihydrochloride.
What is the SMILES notation for 2-phenylpropanoic acid;dihydrochloride?
The canonical SMILES for 2-phenylpropanoic acid;dihydrochloride is CC(C(=O)O)c1ccccc1.Cl.Cl.
What is the InChIKey of 2-phenylpropanoic acid;dihydrochloride?
The InChIKey is ZFWZDHYZGCVGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2.2ClH/c1-7(9(10)11)8-5-3-2-4-6-8;;/h2-7H,1H3,(H,10,11);2*1H.
What are the key properties of 2-phenylpropanoic acid;dihydrochloride?
2-phenylpropanoic acid;dihydrochloride has a molecular weight of 223.10 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpropanoic acid;dihydrochloride is sourced from PubChem (CID 162109025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).