2-(2-methoxypropan-2-yl)benzoic acid

C11H14O3 — CID 117111487

IUPAC2-(2-methoxypropan-2-yl)benzoic acid
SMILESCOC(C)(C)c1ccccc1C(=O)O
InChIInChI=1S/C11H14O3/c1-11(2,14-3)9-7-5-4-6-8(9)10(12)13/h4-7H,1-3H3,(H,12,13)
InChIKeyPQIWEMCYVUNXGI-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.27
Rot. Bonds3

About 2-(2-methoxypropan-2-yl)benzoic acid

2-(2-methoxypropan-2-yl)benzoic acid (PubChem CID 117111487) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(2-methoxypropan-2-yl)benzoic acid.

Molecular Properties

Compound Name2-(2-methoxypropan-2-yl)benzoic acid
PubChem CID117111487
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-(2-methoxypropan-2-yl)benzoic acid
SMILESCOC(C)(C)c1ccccc1C(=O)O
InChIInChI=1S/C11H14O3/c1-11(2,14-3)9-7-5-4-6-8(9)10(12)13/h4-7H,1-3H3,(H,12,13)
InChIKeyPQIWEMCYVUNXGI-UHFFFAOYSA-N
XLogP2.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-methoxypropan-2-yl)phenyl]acetic acid
CID 117111517
2-(2-sulfanylpropan-2-yl)benzoic acid
CID 91874166
N-[2-(2-methoxypropan-2-yl)phenyl]acetamide
CID 12541862
1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-one
CID 117114917
CID 66717184
CID 66717184
dimethyl naphthalene-1,4-dicarboxylate;naphthalene-1,4-dicarboxylic acid
CID 162019069
2-(2-methanidylpropan-2-yl)benzoic acid;nickel;bis(trimethylphosphanium)
CID 134850850
2-hydroxybenzoic acid;2-[2-(2-hydroxyphenyl)propan-2-yl]phenol
CID 174517600
2-(2-methoxy-2-methylpropyl)benzoic acid
CID 117111489
2-hydroxybenzoic acid;methyl acetate
CID 157381538
2-(2-methyl-1-methylsulfonylpropan-2-yl)benzoic acid
CID 115047804
2-(1,1-difluoro-2-methylpropyl)benzoic acid
CID 83856053

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypropan-2-yl)benzoic acid?
The IUPAC name of 2-(2-methoxypropan-2-yl)benzoic acid (CID 117111487) is 2-(2-methoxypropan-2-yl)benzoic acid.
What is the SMILES notation for 2-(2-methoxypropan-2-yl)benzoic acid?
The canonical SMILES for 2-(2-methoxypropan-2-yl)benzoic acid is COC(C)(C)c1ccccc1C(=O)O.
What is the InChIKey of 2-(2-methoxypropan-2-yl)benzoic acid?
The InChIKey is PQIWEMCYVUNXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-11(2,14-3)9-7-5-4-6-8(9)10(12)13/h4-7H,1-3H3,(H,12,13).
What are the key properties of 2-(2-methoxypropan-2-yl)benzoic acid?
2-(2-methoxypropan-2-yl)benzoic acid has a molecular weight of 194.23 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropan-2-yl)benzoic acid is sourced from PubChem (CID 117111487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).