methane;(2R)-2-phenylpropanoic acid

C10H14O2 — CID 162174165

IUPACmethane;(2R)-2-phenylpropanoic acid
SMILESC.C[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C9H10O2.CH4/c1-7(9(10)11)8-5-3-2-4-6-8;/h2-7H,1H3,(H,10,11);1H4/t7-;/m1./s1
InChIKeyZOEBLUYOTSKXAC-OGFXRTJISA-N
MW166.22 g/mol
LogP2.51
Rot. Bonds2

About methane;(2R)-2-phenylpropanoic acid

methane;(2R)-2-phenylpropanoic acid (PubChem CID 162174165) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is methane;(2R)-2-phenylpropanoic acid.

Molecular Properties

Compound Namemethane;(2R)-2-phenylpropanoic acid
PubChem CID162174165
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Namemethane;(2R)-2-phenylpropanoic acid
SMILESC.C[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C9H10O2.CH4/c1-7(9(10)11)8-5-3-2-4-6-8;/h2-7H,1H3,(H,10,11);1H4/t7-;/m1./s1
InChIKeyZOEBLUYOTSKXAC-OGFXRTJISA-N
XLogP2.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenylpropanoic acid;hydrate
CID 139796091
2-phenylpropanoic acid;dihydrochloride
CID 162109025
bis(3-phenylbutan-2-one);2-phenylpropanoic acid
CID 143307414
ethane-1,2-diol;2-phenylpropanoic acid
CID 175461834
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
ethoxyethane;2-phenylpropanoic acid
CID 174766454
2-(2-hydroxyethylamino)ethanol;2-phenylpropanoic acid
CID 160914011
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
CID 67709050
(2R)-2-(4-fluorophenyl)propanoic acid
CID 7005040

Frequently Asked Questions

What is the IUPAC name of methane;(2R)-2-phenylpropanoic acid?
The IUPAC name of methane;(2R)-2-phenylpropanoic acid (CID 162174165) is methane;(2R)-2-phenylpropanoic acid.
What is the SMILES notation for methane;(2R)-2-phenylpropanoic acid?
The canonical SMILES for methane;(2R)-2-phenylpropanoic acid is C.C[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of methane;(2R)-2-phenylpropanoic acid?
The InChIKey is ZOEBLUYOTSKXAC-OGFXRTJISA-N. The full InChI is InChI=1S/C9H10O2.CH4/c1-7(9(10)11)8-5-3-2-4-6-8;/h2-7H,1H3,(H,10,11);1H4/t7-;/m1./s1.
What are the key properties of methane;(2R)-2-phenylpropanoic acid?
methane;(2R)-2-phenylpropanoic acid has a molecular weight of 166.22 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(2R)-2-phenylpropanoic acid is sourced from PubChem (CID 162174165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).