2-(2-propan-2-ylphenoxy)acetic acid

C11H14O3 — CID 1284361

IUPAC2-(2-propan-2-ylphenoxy)acetic acid
SMILESCC(C)c1ccccc1OCC(=O)O
InChIInChI=1S/C11H14O3/c1-8(2)9-5-3-4-6-10(9)14-7-11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)
InChIKeyHGGPCQVBKJMWHG-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.27
Rot. Bonds4

About 2-(2-propan-2-ylphenoxy)acetic acid

2-(2-propan-2-ylphenoxy)acetic acid (PubChem CID 1284361) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(2-propan-2-ylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(2-propan-2-ylphenoxy)acetic acid
PubChem CID1284361
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-(2-propan-2-ylphenoxy)acetic acid
SMILESCC(C)c1ccccc1OCC(=O)O
InChIInChI=1S/C11H14O3/c1-8(2)9-5-3-4-6-10(9)14-7-11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)
InChIKeyHGGPCQVBKJMWHG-UHFFFAOYSA-N
XLogP2.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylphenoxy)acetic acid?
The IUPAC name of 2-(2-propan-2-ylphenoxy)acetic acid (CID 1284361) is 2-(2-propan-2-ylphenoxy)acetic acid.
What is the SMILES notation for 2-(2-propan-2-ylphenoxy)acetic acid?
The canonical SMILES for 2-(2-propan-2-ylphenoxy)acetic acid is CC(C)c1ccccc1OCC(=O)O.
What is the InChIKey of 2-(2-propan-2-ylphenoxy)acetic acid?
The InChIKey is HGGPCQVBKJMWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8(2)9-5-3-4-6-10(9)14-7-11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13).
What are the key properties of 2-(2-propan-2-ylphenoxy)acetic acid?
2-(2-propan-2-ylphenoxy)acetic acid has a molecular weight of 194.23 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylphenoxy)acetic acid is sourced from PubChem (CID 1284361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).