2-(4-propan-2-ylphenoxy)propanoic acid

C12H16O3 — CID 3252680

IUPAC2-(4-propan-2-ylphenoxy)propanoic acid
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)O
InChIInChI=1S/C12H16O3/c1-8(2)10-4-6-11(7-5-10)15-9(3)12(13)14/h4-9H,1-3H3,(H,13,14)
InChIKeyJQGMFMWLOKZVBQ-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.66
Rot. Bonds4

About 2-(4-propan-2-ylphenoxy)propanoic acid

2-(4-propan-2-ylphenoxy)propanoic acid (PubChem CID 3252680) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenoxy)propanoic acid.

Molecular Properties

Compound Name2-(4-propan-2-ylphenoxy)propanoic acid
PubChem CID3252680
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-(4-propan-2-ylphenoxy)propanoic acid
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)O
InChIInChI=1S/C12H16O3/c1-8(2)10-4-6-11(7-5-10)15-9(3)12(13)14/h4-9H,1-3H3,(H,13,14)
InChIKeyJQGMFMWLOKZVBQ-UHFFFAOYSA-N
XLogP2.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-2-(4-propan-2-ylphenoxy)propan-1-one
CID 43411936
2-(4-fluorophenoxy)propanoic acid
CID 3872140
2-phenoxypropanoic acid;hydrofluoride
CID 161153787
2-[4-(4-methylphenyl)phenoxy]propanoic acid
CID 16769111
2-(4-propan-2-ylphenoxy)-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]propanamide
CID 4954241
sodium;hydride;2-phenoxypropanoic acid
CID 174562261
potassium;hydride;2-phenoxypropanoic acid
CID 174805355
(2S)-2-[4-(4-methylphenoxy)phenoxy]propanoic acid
CID 92960697
(2R)-2-[4-(carboxymethoxy)phenoxy]propanoic acid
CID 139082726
2-[4-[2-[4-(1-carboxyethoxy)phenyl]propan-2-yl]phenoxy]propanoic acid
CID 110193293
(2S)-2-(4-cyanophenoxy)propanoic acid
CID 7127729
2-(4-anilinophenoxy)propanoic acid
CID 43519559

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenoxy)propanoic acid?
The IUPAC name of 2-(4-propan-2-ylphenoxy)propanoic acid (CID 3252680) is 2-(4-propan-2-ylphenoxy)propanoic acid.
What is the SMILES notation for 2-(4-propan-2-ylphenoxy)propanoic acid?
The canonical SMILES for 2-(4-propan-2-ylphenoxy)propanoic acid is CC(Oc1ccc(C(C)C)cc1)C(=O)O.
What is the InChIKey of 2-(4-propan-2-ylphenoxy)propanoic acid?
The InChIKey is JQGMFMWLOKZVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-8(2)10-4-6-11(7-5-10)15-9(3)12(13)14/h4-9H,1-3H3,(H,13,14).
What are the key properties of 2-(4-propan-2-ylphenoxy)propanoic acid?
2-(4-propan-2-ylphenoxy)propanoic acid has a molecular weight of 208.26 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenoxy)propanoic acid is sourced from PubChem (CID 3252680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).