2-propan-2-ylbenzoic acid

C10H12O2 — CID 17099

IUPAC2-propan-2-ylbenzoic acid
SMILESCC(C)c1ccccc1C(=O)O
InChIInChI=1S/C10H12O2/c1-7(2)8-5-3-4-6-9(8)10(11)12/h3-7H,1-2H3,(H,11,12)
InChIKeyBANZVKGLDQDFDV-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.51
Rot. Bonds2

About 2-propan-2-ylbenzoic acid

2-propan-2-ylbenzoic acid (PubChem CID 17099) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-propan-2-ylbenzoic acid.

Molecular Properties

Compound Name2-propan-2-ylbenzoic acid
PubChem CID17099
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2-propan-2-ylbenzoic acid
SMILESCC(C)c1ccccc1C(=O)O
InChIInChI=1S/C10H12O2/c1-7(2)8-5-3-4-6-9(8)10(11)12/h3-7H,1-2H3,(H,11,12)
InChIKeyBANZVKGLDQDFDV-UHFFFAOYSA-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 ≤ 500164.20
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzoic Acid
CID 243
Sodium Benzoate
CID 517055
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Dimethyl Phthalate
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Isophthalic Acid
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2-Hydroxy-1,4-naphthoquinone
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2-Phenylpropionic acid
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P-Toluic Acid
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Monobutyl phthalate
CID 8575
Mono(2-ethylhexyl) phthalate
CID 20393
Potassium Benzoate
CID 23661960

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylbenzoic acid?
The IUPAC name of 2-propan-2-ylbenzoic acid (CID 17099) is 2-propan-2-ylbenzoic acid.
What is the SMILES notation for 2-propan-2-ylbenzoic acid?
The canonical SMILES for 2-propan-2-ylbenzoic acid is CC(C)c1ccccc1C(=O)O.
What is the InChIKey of 2-propan-2-ylbenzoic acid?
The InChIKey is BANZVKGLDQDFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-7(2)8-5-3-4-6-9(8)10(11)12/h3-7H,1-2H3,(H,11,12).
What are the key properties of 2-propan-2-ylbenzoic acid?
2-propan-2-ylbenzoic acid has a molecular weight of 164.20 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 2-propan-2-ylbenzoic acid is sourced from PubChem (CID 17099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).