2,2-dimethyl-3-(2-propan-2-ylphenoxy)propanoic acid

C14H20O3 — CID 20986649

IUPAC2,2-dimethyl-3-(2-propan-2-ylphenoxy)propanoic acid
SMILESCC(C)c1ccccc1OCC(C)(C)C(=O)O
InChIInChI=1S/C14H20O3/c1-10(2)11-7-5-6-8-12(11)17-9-14(3,4)13(15)16/h5-8,10H,9H2,1-4H3,(H,15,16)
InChIKeyDJFXEJKLRKVDMG-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.30
Rot. Bonds5

About 2,2-dimethyl-3-(2-propan-2-ylphenoxy)propanoic acid

2,2-dimethyl-3-(2-propan-2-ylphenoxy)propanoic acid (PubChem CID 20986649) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-propan-2-ylphenoxy)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-propan-2-ylphenoxy)propanoic acid
PubChem CID20986649
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2,2-dimethyl-3-(2-propan-2-ylphenoxy)propanoic acid
SMILESCC(C)c1ccccc1OCC(C)(C)C(=O)O
InChIInChI=1S/C14H20O3/c1-10(2)11-7-5-6-8-12(11)17-9-14(3,4)13(15)16/h5-8,10H,9H2,1-4H3,(H,15,16)
InChIKeyDJFXEJKLRKVDMG-UHFFFAOYSA-N
XLogP3.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(1-hydroxypropyl)phenoxy]-2,2-dimethylpropanoic acid
CID 79624419
3-(2-ethoxyphenoxy)-2,2-dimethylpropanoic acid
CID 20985587
1-phenyl-2-(2-propan-2-ylphenoxy)ethanone
CID 43413868
1-(3-bromo-2,2-dimethylpropoxy)-2-propan-2-ylbenzene
CID 64995447
1-phenyl-3-(2-propan-2-ylphenoxy)propan-2-one
CID 43799955
3-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-2,2-dimethylpropanoic acid
CID 79630091
3-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-2,2-dimethylpropanoic acid
CID 79629896
3-[4-chloro-2-(1-hydroxyethyl)phenoxy]-2,2-dimethylpropanoic acid
CID 79624025
3-methyl-4-(2-propan-2-ylphenoxy)butanoic acid
CID 112508341
N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088
1-amino-2-phenyl-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 64814427
2-[(2-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxylic acid
CID 82168708

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-propan-2-ylphenoxy)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(2-propan-2-ylphenoxy)propanoic acid (CID 20986649) is 2,2-dimethyl-3-(2-propan-2-ylphenoxy)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(2-propan-2-ylphenoxy)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(2-propan-2-ylphenoxy)propanoic acid is CC(C)c1ccccc1OCC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-(2-propan-2-ylphenoxy)propanoic acid?
The InChIKey is DJFXEJKLRKVDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-10(2)11-7-5-6-8-12(11)17-9-14(3,4)13(15)16/h5-8,10H,9H2,1-4H3,(H,15,16).
What are the key properties of 2,2-dimethyl-3-(2-propan-2-ylphenoxy)propanoic acid?
2,2-dimethyl-3-(2-propan-2-ylphenoxy)propanoic acid has a molecular weight of 236.31 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-propan-2-ylphenoxy)propanoic acid is sourced from PubChem (CID 20986649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).