2-(2,4,6-trimethylphenoxy)acetic acid

C11H14O3 — CID 853573

IUPAC2-(2,4,6-trimethylphenoxy)acetic acid
SMILESCc1cc(C)c(OCC(=O)O)c(C)c1
InChIInChI=1S/C11H14O3/c1-7-4-8(2)11(9(3)5-7)14-6-10(12)13/h4-5H,6H2,1-3H3,(H,12,13)
InChIKeyTVYZUFZJRKBXTB-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.08
Rot. Bonds3

About 2-(2,4,6-trimethylphenoxy)acetic acid

2-(2,4,6-trimethylphenoxy)acetic acid (PubChem CID 853573) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(2,4,6-trimethylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(2,4,6-trimethylphenoxy)acetic acid
PubChem CID853573
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-(2,4,6-trimethylphenoxy)acetic acid
SMILESCc1cc(C)c(OCC(=O)O)c(C)c1
InChIInChI=1S/C11H14O3/c1-7-4-8(2)11(9(3)5-7)14-6-10(12)13/h4-5H,6H2,1-3H3,(H,12,13)
InChIKeyTVYZUFZJRKBXTB-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl (p-tolyloxy)acetate
CID 4047281
(2,6-Dimethylphenoxy)acetic acid
CID 101369
2-(2-Methylphenoxy)acetic acid
CID 74651
p-Methylphenoxyacetic acid
CID 70329
2-(4-Biphenylyloxy)propionic acid
CID 101181
Acetic acid, (3-methylphenoxy)-
CID 74235
Butanoic acid, 2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-
CID 625983
2-(2-Allylphenoxy)acetic acid
CID 246764
(2,4-Bis(1,1-dimethylpropyl)phenoxy)acetic acid
CID 83411
2-(3-Methylphenoxy)propanoic acid
CID 212845
1-(2,6-Dimethylphenoxy)-2-propanone
CID 104378
(p-Nonylphenoxy)acetic acid
CID 18380

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trimethylphenoxy)acetic acid?
The IUPAC name of 2-(2,4,6-trimethylphenoxy)acetic acid (CID 853573) is 2-(2,4,6-trimethylphenoxy)acetic acid.
What is the SMILES notation for 2-(2,4,6-trimethylphenoxy)acetic acid?
The canonical SMILES for 2-(2,4,6-trimethylphenoxy)acetic acid is Cc1cc(C)c(OCC(=O)O)c(C)c1.
What is the InChIKey of 2-(2,4,6-trimethylphenoxy)acetic acid?
The InChIKey is TVYZUFZJRKBXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-7-4-8(2)11(9(3)5-7)14-6-10(12)13/h4-5H,6H2,1-3H3,(H,12,13).
What are the key properties of 2-(2,4,6-trimethylphenoxy)acetic acid?
2-(2,4,6-trimethylphenoxy)acetic acid has a molecular weight of 194.23 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trimethylphenoxy)acetic acid is sourced from PubChem (CID 853573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).