3-[2-(1-hydroxypropyl)phenoxy]-2,2-dimethylpropanoic acid

C14H20O4 — CID 79624419

IUPAC3-[2-(1-hydroxypropyl)phenoxy]-2,2-dimethylpropanoic acid
SMILESCCC(O)c1ccccc1OCC(C)(C)C(=O)O
InChIInChI=1S/C14H20O4/c1-4-11(15)10-7-5-6-8-12(10)18-9-14(2,3)13(16)17/h5-8,11,15H,4,9H2,1-3H3,(H,16,17)
InChIKeyBBFKGJGSLWLWTB-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.62
Rot. Bonds6

About 3-[2-(1-hydroxypropyl)phenoxy]-2,2-dimethylpropanoic acid

3-[2-(1-hydroxypropyl)phenoxy]-2,2-dimethylpropanoic acid (PubChem CID 79624419) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-[2-(1-hydroxypropyl)phenoxy]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[2-(1-hydroxypropyl)phenoxy]-2,2-dimethylpropanoic acid
PubChem CID79624419
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name3-[2-(1-hydroxypropyl)phenoxy]-2,2-dimethylpropanoic acid
SMILESCCC(O)c1ccccc1OCC(C)(C)C(=O)O
InChIInChI=1S/C14H20O4/c1-4-11(15)10-7-5-6-8-12(10)18-9-14(2,3)13(16)17/h5-8,11,15H,4,9H2,1-3H3,(H,16,17)
InChIKeyBBFKGJGSLWLWTB-UHFFFAOYSA-N
XLogP2.62
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2-(1-hydroxypropyl)phenoxy]-2,2-dimethylpropanoic 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

2,2-dimethyl-3-(2-propan-2-ylphenoxy)propanoic acid
CID 20986649
1-[2-[(1R)-1-hydroxypropyl]phenoxy]-2-methylpropan-2-ol
CID 78930642
3-(2-ethoxyphenoxy)-2,2-dimethylpropanoic acid
CID 20985587
1-[2-(1-hydroxypropyl)phenoxy]-2-phenylpropan-2-ol
CID 62374016
(1R)-1-[2-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol
CID 63365266
2-[2-(1-hydroxypropyl)phenoxy]acetamide
CID 43503607
ethyl 2-[2-(1-hydroxypropyl)phenoxy]acetate
CID 43503550
3-[4-[(1R)-1-hydroxypropyl]phenoxy]-2,2-dimethylpropanoic acid
CID 79624226
(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol
CID 63365062
(1R)-1-[2-(3-ethylsulfonylpropoxy)phenyl]propan-1-ol
CID 65098384
3-[2-(1-hydroxypropyl)phenoxy]-N,N-dimethylpropanamide
CID 54879106
2-[2-[(1R)-1-hydroxypropyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 78930255

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-hydroxypropyl)phenoxy]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[2-(1-hydroxypropyl)phenoxy]-2,2-dimethylpropanoic acid (CID 79624419) is 3-[2-(1-hydroxypropyl)phenoxy]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[2-(1-hydroxypropyl)phenoxy]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[2-(1-hydroxypropyl)phenoxy]-2,2-dimethylpropanoic acid is CCC(O)c1ccccc1OCC(C)(C)C(=O)O.
What is the InChIKey of 3-[2-(1-hydroxypropyl)phenoxy]-2,2-dimethylpropanoic acid?
The InChIKey is BBFKGJGSLWLWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-4-11(15)10-7-5-6-8-12(10)18-9-14(2,3)13(16)17/h5-8,11,15H,4,9H2,1-3H3,(H,16,17).
What are the key properties of 3-[2-(1-hydroxypropyl)phenoxy]-2,2-dimethylpropanoic acid?
3-[2-(1-hydroxypropyl)phenoxy]-2,2-dimethylpropanoic acid has a molecular weight of 252.31 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-hydroxypropyl)phenoxy]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 79624419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).