2-(2-propan-2-ylphenyl)propanoic acid

C12H16O2 — CID 66999361

IUPAC2-(2-propan-2-ylphenyl)propanoic acid
SMILESCC(C)c1ccccc1C(C)C(=O)O
InChIInChI=1S/C12H16O2/c1-8(2)10-6-4-5-7-11(10)9(3)12(13)14/h4-9H,1-3H3,(H,13,14)
InChIKeyFTXZNKAZMHJDLA-UHFFFAOYSA-N
MW192.26 g/mol
LogP3.00
Rot. Bonds3

About 2-(2-propan-2-ylphenyl)propanoic acid

2-(2-propan-2-ylphenyl)propanoic acid (PubChem CID 66999361) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(2-propan-2-ylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(2-propan-2-ylphenyl)propanoic acid
PubChem CID66999361
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2-(2-propan-2-ylphenyl)propanoic acid
SMILESCC(C)c1ccccc1C(C)C(=O)O
InChIInChI=1S/C12H16O2/c1-8(2)10-6-4-5-7-11(10)9(3)12(13)14/h4-9H,1-3H3,(H,13,14)
InChIKeyFTXZNKAZMHJDLA-UHFFFAOYSA-N
XLogP3.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-hydroxy-3-(2-propan-2-ylphenyl)butan-2-one
CID 139755701
2-[2-(1,2,2,2-tetrafluoroethyl)phenyl]propanoic acid
CID 84728987
bis(1,1'-biphenyl);2-(2-phenylphenyl)propanoic acid
CID 70214547
1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129
2-[2-(fluoromethyl)phenyl]propanoic acid
CID 18434881
1,2-bis(2-propan-2-ylphenyl)ethane-1,2-dione
CID 67945637
2-phenylpropanoic acid;hydrate
CID 139796091
methane;(2R)-2-phenylpropanoic acid
CID 162174165
2-phenylpropanoic acid;dihydrochloride
CID 162109025
2-[2-(2-bromoacetyl)phenyl]propanoic acid
CID 87997293
2-anthracen-1-ylpropanoic acid
CID 57031488

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylphenyl)propanoic acid?
The IUPAC name of 2-(2-propan-2-ylphenyl)propanoic acid (CID 66999361) is 2-(2-propan-2-ylphenyl)propanoic acid.
What is the SMILES notation for 2-(2-propan-2-ylphenyl)propanoic acid?
The canonical SMILES for 2-(2-propan-2-ylphenyl)propanoic acid is CC(C)c1ccccc1C(C)C(=O)O.
What is the InChIKey of 2-(2-propan-2-ylphenyl)propanoic acid?
The InChIKey is FTXZNKAZMHJDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-8(2)10-6-4-5-7-11(10)9(3)12(13)14/h4-9H,1-3H3,(H,13,14).
What are the key properties of 2-(2-propan-2-ylphenyl)propanoic acid?
2-(2-propan-2-ylphenyl)propanoic acid has a molecular weight of 192.26 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylphenyl)propanoic acid is sourced from PubChem (CID 66999361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).