3-(2-hydroxypropan-2-yl)-4-methylbenzoic acid

C11H14O3 — CID 83384782

IUPAC3-(2-hydroxypropan-2-yl)-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1C(C)(C)O
InChIInChI=1S/C11H14O3/c1-7-4-5-8(10(12)13)6-9(7)11(2,3)14/h4-6,14H,1-3H3,(H,12,13)
InChIKeyATPWRNKADJBNPL-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.92
Rot. Bonds2

About 3-(2-hydroxypropan-2-yl)-4-methylbenzoic acid

3-(2-hydroxypropan-2-yl)-4-methylbenzoic acid (PubChem CID 83384782) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-(2-hydroxypropan-2-yl)-4-methylbenzoic acid.

Molecular Properties

Compound Name3-(2-hydroxypropan-2-yl)-4-methylbenzoic acid
PubChem CID83384782
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name3-(2-hydroxypropan-2-yl)-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1C(C)(C)O
InChIInChI=1S/C11H14O3/c1-7-4-5-8(10(12)13)6-9(7)11(2,3)14/h4-6,14H,1-3H3,(H,12,13)
InChIKeyATPWRNKADJBNPL-UHFFFAOYSA-N
XLogP1.92
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropan-2-yl)-4-methylbenzoic acid?
The IUPAC name of 3-(2-hydroxypropan-2-yl)-4-methylbenzoic acid (CID 83384782) is 3-(2-hydroxypropan-2-yl)-4-methylbenzoic acid.
What is the SMILES notation for 3-(2-hydroxypropan-2-yl)-4-methylbenzoic acid?
The canonical SMILES for 3-(2-hydroxypropan-2-yl)-4-methylbenzoic acid is Cc1ccc(C(=O)O)cc1C(C)(C)O.
What is the InChIKey of 3-(2-hydroxypropan-2-yl)-4-methylbenzoic acid?
The InChIKey is ATPWRNKADJBNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-7-4-5-8(10(12)13)6-9(7)11(2,3)14/h4-6,14H,1-3H3,(H,12,13).
What are the key properties of 3-(2-hydroxypropan-2-yl)-4-methylbenzoic acid?
3-(2-hydroxypropan-2-yl)-4-methylbenzoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropan-2-yl)-4-methylbenzoic acid is sourced from PubChem (CID 83384782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).