2-(2-methoxyphenoxy)-3-(2,4,6-trimethylphenyl)propanoic acid

C19H22O4 — CID 133241387

IUPAC2-(2-methoxyphenoxy)-3-(2,4,6-trimethylphenyl)propanoic acid
SMILESCOc1ccccc1OC(Cc1c(C)cc(C)cc1C)C(=O)O
InChIInChI=1S/C19H22O4/c1-12-9-13(2)15(14(3)10-12)11-18(19(20)21)23-17-8-6-5-7-16(17)22-4/h5-10,18H,11H2,1-4H3,(H,20,21)
InChIKeyAUYRBEOLGGMSMA-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.70
Rot. Bonds6

About 2-(2-methoxyphenoxy)-3-(2,4,6-trimethylphenyl)propanoic acid

2-(2-methoxyphenoxy)-3-(2,4,6-trimethylphenyl)propanoic acid (PubChem CID 133241387) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-3-(2,4,6-trimethylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-3-(2,4,6-trimethylphenyl)propanoic acid
PubChem CID133241387
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name2-(2-methoxyphenoxy)-3-(2,4,6-trimethylphenyl)propanoic acid
SMILESCOc1ccccc1OC(Cc1c(C)cc(C)cc1C)C(=O)O
InChIInChI=1S/C19H22O4/c1-12-9-13(2)15(14(3)10-12)11-18(19(20)21)23-17-8-6-5-7-16(17)22-4/h5-10,18H,11H2,1-4H3,(H,20,21)
InChIKeyAUYRBEOLGGMSMA-UHFFFAOYSA-N
XLogP3.70
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-tert-butylphenoxy)-3-(2,4,6-trimethylphenyl)propanoic acid
CID 100550726
(2R)-3-(2,6-dimethylphenyl)-2-(2,3,5-trimethylphenoxy)propanoic acid
CID 100528023
2-(2-methoxyphenoxy)-3-(2-methoxyphenyl)propanoic acid
CID 133240977
3-(4-chloro-2-methylphenyl)-2-(2-methoxyphenoxy)propanoic acid
CID 133230900
3-methoxy-2-(2-methoxyphenoxy)propanoic acid
CID 103223945
(2S)-3-(4-ethylphenyl)-2-(2-methoxyphenoxy)propanoic acid
CID 100530459
(2S)-2-(2-chlorophenoxy)-3-(2,6-dimethylphenyl)propanoic acid
CID 100527792
(2R)-2-(2-methoxyphenoxy)-3-(2-phenoxyphenyl)propanoic acid
CID 100551442
3-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid
CID 133241219
3-(2,6-dimethylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid
CID 133150505
2-(2-methoxyphenoxy)-3-(4-phenoxyphenyl)propanoic acid
CID 133241102
(2R)-3-(2,4-dimethylphenyl)-2-(2-methylphenoxy)propanoic acid
CID 100526538

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-3-(2,4,6-trimethylphenyl)propanoic acid?
The IUPAC name of 2-(2-methoxyphenoxy)-3-(2,4,6-trimethylphenyl)propanoic acid (CID 133241387) is 2-(2-methoxyphenoxy)-3-(2,4,6-trimethylphenyl)propanoic acid.
What is the SMILES notation for 2-(2-methoxyphenoxy)-3-(2,4,6-trimethylphenyl)propanoic acid?
The canonical SMILES for 2-(2-methoxyphenoxy)-3-(2,4,6-trimethylphenyl)propanoic acid is COc1ccccc1OC(Cc1c(C)cc(C)cc1C)C(=O)O.
What is the InChIKey of 2-(2-methoxyphenoxy)-3-(2,4,6-trimethylphenyl)propanoic acid?
The InChIKey is AUYRBEOLGGMSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-12-9-13(2)15(14(3)10-12)11-18(19(20)21)23-17-8-6-5-7-16(17)22-4/h5-10,18H,11H2,1-4H3,(H,20,21).
What are the key properties of 2-(2-methoxyphenoxy)-3-(2,4,6-trimethylphenyl)propanoic acid?
2-(2-methoxyphenoxy)-3-(2,4,6-trimethylphenyl)propanoic acid has a molecular weight of 314.38 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-3-(2,4,6-trimethylphenyl)propanoic acid is sourced from PubChem (CID 133241387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).