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

C13H18O4 — CID 103223931

IUPAC3-methoxy-2-(4-propan-2-ylphenoxy)propanoic acid
SMILESCOCC(Oc1ccc(C(C)C)cc1)C(=O)O
InChIInChI=1S/C13H18O4/c1-9(2)10-4-6-11(7-5-10)17-12(8-16-3)13(14)15/h4-7,9,12H,8H2,1-3H3,(H,14,15)
InChIKeyRTFUXLIDCJKSMT-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.29
Rot. Bonds6

About 3-methoxy-2-(4-propan-2-ylphenoxy)propanoic acid

3-methoxy-2-(4-propan-2-ylphenoxy)propanoic acid (PubChem CID 103223931) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 3-methoxy-2-(4-propan-2-ylphenoxy)propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-(4-propan-2-ylphenoxy)propanoic acid
PubChem CID103223931
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name3-methoxy-2-(4-propan-2-ylphenoxy)propanoic acid
SMILESCOCC(Oc1ccc(C(C)C)cc1)C(=O)O
InChIInChI=1S/C13H18O4/c1-9(2)10-4-6-11(7-5-10)17-12(8-16-3)13(14)15/h4-7,9,12H,8H2,1-3H3,(H,14,15)
InChIKeyRTFUXLIDCJKSMT-UHFFFAOYSA-N
XLogP2.29
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-propan-2-ylphenoxy)pentanoic acid
CID 54792638
2-(4-formylphenoxy)-3-methoxypropanoic acid
CID 103224047
(2R)-2-(4-propan-2-ylphenoxy)hexanoic acid
CID 124564856
(2R)-3-(4-hydroxyphenyl)-2-(4-propan-2-ylphenoxy)propanoic acid
CID 54214369
2-(4-propan-2-ylphenoxy)propanoic acid
CID 3252680
2-(3,5-dichlorophenoxy)-3-methoxypropanoic acid
CID 69114724
2-[4-(1-hydroxyethyl)phenoxy]butanoic acid
CID 64661160
2-(3-fluorophenoxy)-3-methoxypropanoic acid
CID 83704060
(2R)-2-(3,4-dimethylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid
CID 100531124
2-(3-ethoxyphenoxy)-3-methoxypropanoic acid
CID 103224091
2-(4-propan-2-ylphenoxy)-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 10498178
3-methoxy-2-(4-propan-2-ylphenoxy)propan-1-amine
CID 103228142

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(4-propan-2-ylphenoxy)propanoic acid?
The IUPAC name of 3-methoxy-2-(4-propan-2-ylphenoxy)propanoic acid (CID 103223931) is 3-methoxy-2-(4-propan-2-ylphenoxy)propanoic acid.
What is the SMILES notation for 3-methoxy-2-(4-propan-2-ylphenoxy)propanoic acid?
The canonical SMILES for 3-methoxy-2-(4-propan-2-ylphenoxy)propanoic acid is COCC(Oc1ccc(C(C)C)cc1)C(=O)O.
What is the InChIKey of 3-methoxy-2-(4-propan-2-ylphenoxy)propanoic acid?
The InChIKey is RTFUXLIDCJKSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-9(2)10-4-6-11(7-5-10)17-12(8-16-3)13(14)15/h4-7,9,12H,8H2,1-3H3,(H,14,15).
What are the key properties of 3-methoxy-2-(4-propan-2-ylphenoxy)propanoic acid?
3-methoxy-2-(4-propan-2-ylphenoxy)propanoic acid has a molecular weight of 238.28 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(4-propan-2-ylphenoxy)propanoic acid is sourced from PubChem (CID 103223931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).