3-[4-(4-hydroxy-2,4-dimethylpentan-2-yl)phenoxy]propanoic acid

C16H24O4 — CID 172634530

IUPAC3-[4-(4-hydroxy-2,4-dimethylpentan-2-yl)phenoxy]propanoic acid
SMILESCC(C)(O)CC(C)(C)c1ccc(OCCC(=O)O)cc1
InChIInChI=1S/C16H24O4/c1-15(2,11-16(3,4)19)12-5-7-13(8-6-12)20-10-9-14(17)18/h5-8,19H,9-11H2,1-4H3,(H,17,18)
InChIKeyCCYZPAOGUZKYDD-UHFFFAOYSA-N
MW280.36 g/mol
LogP2.98
Rot. Bonds7

About 3-[4-(4-hydroxy-2,4-dimethylpentan-2-yl)phenoxy]propanoic acid

3-[4-(4-hydroxy-2,4-dimethylpentan-2-yl)phenoxy]propanoic acid (PubChem CID 172634530) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is 3-[4-(4-hydroxy-2,4-dimethylpentan-2-yl)phenoxy]propanoic acid.

Molecular Properties

Compound Name3-[4-(4-hydroxy-2,4-dimethylpentan-2-yl)phenoxy]propanoic acid
PubChem CID172634530
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name3-[4-(4-hydroxy-2,4-dimethylpentan-2-yl)phenoxy]propanoic acid
SMILESCC(C)(O)CC(C)(C)c1ccc(OCCC(=O)O)cc1
InChIInChI=1S/C16H24O4/c1-15(2,11-16(3,4)19)12-5-7-13(8-6-12)20-10-9-14(17)18/h5-8,19H,9-11H2,1-4H3,(H,17,18)
InChIKeyCCYZPAOGUZKYDD-UHFFFAOYSA-N
XLogP2.98
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanoic acid
CID 16778263
3-[4-[tris(3,5-ditert-butylphenyl)methyl]phenoxy]propanoic acid
CID 102176985
2-[3-[4-(2-methylbutan-2-yl)phenoxy]propanoylamino]acetic acid
CID 92923176
3-(4-propan-2-ylphenoxy)propanoic acid
CID 16777434
3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]propanoic acid
CID 146593712
2-[4-(2-carboxyethoxy)phenoxy]propanoic acid
CID 69292978
3-(4-propanoylphenoxy)propanoic acid
CID 3050237
3-[4-(3,4-dimethylphenyl)phenoxy]propanoic acid
CID 39369403
manganese;3-phenoxypropanoic acid;zirconium
CID 175105332
ethane;4-(4-methylphenoxy)butanoic acid
CID 142364163
2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]benzoic acid
CID 22681637
3-(3-fluoro-4-methylphenoxy)propanoic acid
CID 107168344

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-hydroxy-2,4-dimethylpentan-2-yl)phenoxy]propanoic acid?
The IUPAC name of 3-[4-(4-hydroxy-2,4-dimethylpentan-2-yl)phenoxy]propanoic acid (CID 172634530) is 3-[4-(4-hydroxy-2,4-dimethylpentan-2-yl)phenoxy]propanoic acid.
What is the SMILES notation for 3-[4-(4-hydroxy-2,4-dimethylpentan-2-yl)phenoxy]propanoic acid?
The canonical SMILES for 3-[4-(4-hydroxy-2,4-dimethylpentan-2-yl)phenoxy]propanoic acid is CC(C)(O)CC(C)(C)c1ccc(OCCC(=O)O)cc1.
What is the InChIKey of 3-[4-(4-hydroxy-2,4-dimethylpentan-2-yl)phenoxy]propanoic acid?
The InChIKey is CCYZPAOGUZKYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-15(2,11-16(3,4)19)12-5-7-13(8-6-12)20-10-9-14(17)18/h5-8,19H,9-11H2,1-4H3,(H,17,18).
What are the key properties of 3-[4-(4-hydroxy-2,4-dimethylpentan-2-yl)phenoxy]propanoic acid?
3-[4-(4-hydroxy-2,4-dimethylpentan-2-yl)phenoxy]propanoic acid has a molecular weight of 280.36 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-hydroxy-2,4-dimethylpentan-2-yl)phenoxy]propanoic acid is sourced from PubChem (CID 172634530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).