(2R)-3-(2,5-dimethylphenyl)-2-(4-methylphenoxy)propanoic acid

C18H20O3 — CID 100527186

IUPAC(2R)-3-(2,5-dimethylphenyl)-2-(4-methylphenoxy)propanoic acid
SMILESCc1ccc(O[C@H](Cc2cc(C)ccc2C)C(=O)O)cc1
InChIInChI=1S/C18H20O3/c1-12-5-8-16(9-6-12)21-17(18(19)20)11-15-10-13(2)4-7-14(15)3/h4-10,17H,11H2,1-3H3,(H,19,20)/t17-/m1/s1
InChIKeyYYAYIHMZLRIJHD-QGZVFWFLSA-N
MW284.36 g/mol
LogP3.69
Rot. Bonds5

About (2R)-3-(2,5-dimethylphenyl)-2-(4-methylphenoxy)propanoic acid

(2R)-3-(2,5-dimethylphenyl)-2-(4-methylphenoxy)propanoic acid (PubChem CID 100527186) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is (2R)-3-(2,5-dimethylphenyl)-2-(4-methylphenoxy)propanoic acid.

Molecular Properties

Compound Name(2R)-3-(2,5-dimethylphenyl)-2-(4-methylphenoxy)propanoic acid
PubChem CID100527186
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name(2R)-3-(2,5-dimethylphenyl)-2-(4-methylphenoxy)propanoic acid
SMILESCc1ccc(O[C@H](Cc2cc(C)ccc2C)C(=O)O)cc1
InChIInChI=1S/C18H20O3/c1-12-5-8-16(9-6-12)21-17(18(19)20)11-15-10-13(2)4-7-14(15)3/h4-10,17H,11H2,1-3H3,(H,19,20)/t17-/m1/s1
InChIKeyYYAYIHMZLRIJHD-QGZVFWFLSA-N
XLogP3.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenoxy)-3-(2,5-dimethylphenyl)propanoic acid
CID 133150429
(2R)-3-(4-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanoic acid
CID 100536865
(2R)-3-(5-chloro-2-methylphenyl)-2-(3-methylphenoxy)propanoic acid
CID 100537567
(2R)-3-(2-methylphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100524579
(2R)-3-(2,5-dimethylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid
CID 100527362
3-(2,5-dimethylphenyl)-2-(4-methylphenyl)propanoic acid
CID 79435899
(2R)-3-(3-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanoic acid
CID 100536256
(2S)-2-(3,5-dimethylphenoxy)-3-(2-methoxy-5-methylphenyl)propanoic acid
CID 100546610
(2S)-2-(4-methoxyphenoxy)-3-(4-methylphenyl)propanoic acid
CID 100525673
(2R)-3-(4-chloro-2-methylphenyl)-2-(4-chlorophenoxy)propanoic acid
CID 100537024
(2S)-2-(4-methylphenoxy)-3-(2-phenylsulfanylphenyl)propanoic acid
CID 100549442
3-(2,3-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanoic acid
CID 133245588

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2,5-dimethylphenyl)-2-(4-methylphenoxy)propanoic acid?
The IUPAC name of (2R)-3-(2,5-dimethylphenyl)-2-(4-methylphenoxy)propanoic acid (CID 100527186) is (2R)-3-(2,5-dimethylphenyl)-2-(4-methylphenoxy)propanoic acid.
What is the SMILES notation for (2R)-3-(2,5-dimethylphenyl)-2-(4-methylphenoxy)propanoic acid?
The canonical SMILES for (2R)-3-(2,5-dimethylphenyl)-2-(4-methylphenoxy)propanoic acid is Cc1ccc(O[C@H](Cc2cc(C)ccc2C)C(=O)O)cc1.
What is the InChIKey of (2R)-3-(2,5-dimethylphenyl)-2-(4-methylphenoxy)propanoic acid?
The InChIKey is YYAYIHMZLRIJHD-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20O3/c1-12-5-8-16(9-6-12)21-17(18(19)20)11-15-10-13(2)4-7-14(15)3/h4-10,17H,11H2,1-3H3,(H,19,20)/t17-/m1/s1.
What are the key properties of (2R)-3-(2,5-dimethylphenyl)-2-(4-methylphenoxy)propanoic acid?
(2R)-3-(2,5-dimethylphenyl)-2-(4-methylphenoxy)propanoic acid has a molecular weight of 284.36 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2,5-dimethylphenyl)-2-(4-methylphenoxy)propanoic acid is sourced from PubChem (CID 100527186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).