2-(2,4-ditert-butylphenoxy)acetic acid

C16H24O3 — CID 794760

IUPAC2-(2,4-ditert-butylphenoxy)acetic acid
SMILESCC(C)(C)c1ccc(OCC(=O)O)c(C(C)(C)C)c1
InChIInChI=1S/C16H24O3/c1-15(2,3)11-7-8-13(19-10-14(17)18)12(9-11)16(4,5)6/h7-9H,10H2,1-6H3,(H,17,18)
InChIKeyZKEWJHKMOWKCFM-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.74
Rot. Bonds3

About 2-(2,4-ditert-butylphenoxy)acetic acid

2-(2,4-ditert-butylphenoxy)acetic acid (PubChem CID 794760) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 2-(2,4-ditert-butylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(2,4-ditert-butylphenoxy)acetic acid
PubChem CID794760
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name2-(2,4-ditert-butylphenoxy)acetic acid
SMILESCC(C)(C)c1ccc(OCC(=O)O)c(C(C)(C)C)c1
InChIInChI=1S/C16H24O3/c1-15(2,3)11-7-8-13(19-10-14(17)18)12(9-11)16(4,5)6/h7-9H,10H2,1-6H3,(H,17,18)
InChIKeyZKEWJHKMOWKCFM-UHFFFAOYSA-N
XLogP3.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,4-ditert-butylphenoxy)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,4-ditert-butylphenoxy)methyl hydrogen carbonate
CID 145055436
N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-phenylacetohydrazide
CID 17356745
2-(2,4-ditert-butylphenoxy)-N-[8-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]octyl]acetamide
CID 17233420
2-(2,4-ditert-butylphenoxy)-N-(3-hydroxypropyl)acetamide
CID 78821540
2-(2,4-ditert-butylphenoxy)-N-[2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 17357144
N'-[2-(2,4-ditert-butylphenoxy)acetyl]hexanehydrazide
CID 17356816
2-(2,4-ditert-butylphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 17356474
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(2,4-ditert-butylphenoxy)acetohydrazide
CID 17356768
3-[4-[2-(2,4-ditert-butylphenoxy)ethoxy]phenyl]propanoic acid
CID 20985013
N-[3-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]phenyl]benzamide
CID 17234915
2-(2,4-ditert-butylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 17356490
(2,4-ditert-butylphenyl) ethanesulfonate
CID 86639499

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-ditert-butylphenoxy)acetic acid?
The IUPAC name of 2-(2,4-ditert-butylphenoxy)acetic acid (CID 794760) is 2-(2,4-ditert-butylphenoxy)acetic acid.
What is the SMILES notation for 2-(2,4-ditert-butylphenoxy)acetic acid?
The canonical SMILES for 2-(2,4-ditert-butylphenoxy)acetic acid is CC(C)(C)c1ccc(OCC(=O)O)c(C(C)(C)C)c1.
What is the InChIKey of 2-(2,4-ditert-butylphenoxy)acetic acid?
The InChIKey is ZKEWJHKMOWKCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-15(2,3)11-7-8-13(19-10-14(17)18)12(9-11)16(4,5)6/h7-9H,10H2,1-6H3,(H,17,18).
What are the key properties of 2-(2,4-ditert-butylphenoxy)acetic acid?
2-(2,4-ditert-butylphenoxy)acetic acid has a molecular weight of 264.36 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-ditert-butylphenoxy)acetic acid is sourced from PubChem (CID 794760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).