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

C18H20O3 — CID 100526538

IUPAC(2R)-3-(2,4-dimethylphenyl)-2-(2-methylphenoxy)propanoic acid
SMILESCc1ccc(C[C@@H](Oc2ccccc2C)C(=O)O)c(C)c1
InChIInChI=1S/C18H20O3/c1-12-8-9-15(14(3)10-12)11-17(18(19)20)21-16-7-5-4-6-13(16)2/h4-10,17H,11H2,1-3H3,(H,19,20)/t17-/m1/s1
InChIKeyBCLPCYKPZDBVBB-QGZVFWFLSA-N
MW284.35 g/mol
LogP3.69
Rot. Bonds5

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

(2R)-3-(2,4-dimethylphenyl)-2-(2-methylphenoxy)propanoic acid (PubChem CID 100526538) has the molecular formula C18H20O3 and a molecular weight of 284.35 g/mol. Its IUPAC name is (2R)-3-(2,4-dimethylphenyl)-2-(2-methylphenoxy)propanoic acid.

Molecular Properties

Compound Name(2R)-3-(2,4-dimethylphenyl)-2-(2-methylphenoxy)propanoic acid
PubChem CID100526538
Molecular FormulaC18H20O3
Molecular Weight284.35 g/mol
Exact Mass284.14
IUPAC Name(2R)-3-(2,4-dimethylphenyl)-2-(2-methylphenoxy)propanoic acid
SMILESCc1ccc(C[C@@H](Oc2ccccc2C)C(=O)O)c(C)c1
InChIInChI=1S/C18H20O3/c1-12-8-9-15(14(3)10-12)11-17(18(19)20)21-16-7-5-4-6-13(16)2/h4-10,17H,11H2,1-3H3,(H,19,20)/t17-/m1/s1
InChIKeyBCLPCYKPZDBVBB-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 ≤ 500284.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-(2-ethylphenyl)-2-(2-methylphenoxy)propanoic acid
CID 100529624
(2R)-2-(2-methylphenoxy)-3-(4-methylphenyl)propanoic acid
CID 100525412
3-(2,4-dimethoxyphenyl)-2-(2-methylphenoxy)propanoic acid
CID 133241119
(2S)-3-(2-chlorophenyl)-2-(2-methylphenoxy)propanoic acid
CID 100533098
3-(2-chlorophenyl)-2-(2-methylphenoxy)propanoic acid
CID 133245331
(2R)-3-(2-fluorophenyl)-2-(2-methylphenoxy)propanoic acid
CID 100531990
(2S)-3-(2,4-dimethylphenyl)-2-phenylmethoxypropanoic acid
CID 100527106
3-(4-chloro-2-methylphenyl)-2-(2-methoxyphenoxy)propanoic acid
CID 133230900
(2R)-3-(2,5-dimethylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid
CID 100527362
3-(2,3-dichlorophenyl)-2-(2-methylphenoxy)propanoic acid
CID 133245576
ethane;(2R)-2-(2-methylphenoxy)butanoic acid
CID 143919968
(2R)-2-(2-tert-butylphenoxy)-3-(4-chloro-2-methylphenyl)propanoic acid
CID 100537046

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2,4-dimethylphenyl)-2-(2-methylphenoxy)propanoic acid?
The IUPAC name of (2R)-3-(2,4-dimethylphenyl)-2-(2-methylphenoxy)propanoic acid (CID 100526538) is (2R)-3-(2,4-dimethylphenyl)-2-(2-methylphenoxy)propanoic acid.
What is the SMILES notation for (2R)-3-(2,4-dimethylphenyl)-2-(2-methylphenoxy)propanoic acid?
The canonical SMILES for (2R)-3-(2,4-dimethylphenyl)-2-(2-methylphenoxy)propanoic acid is Cc1ccc(C[C@@H](Oc2ccccc2C)C(=O)O)c(C)c1.
What is the InChIKey of (2R)-3-(2,4-dimethylphenyl)-2-(2-methylphenoxy)propanoic acid?
The InChIKey is BCLPCYKPZDBVBB-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20O3/c1-12-8-9-15(14(3)10-12)11-17(18(19)20)21-16-7-5-4-6-13(16)2/h4-10,17H,11H2,1-3H3,(H,19,20)/t17-/m1/s1.
What are the key properties of (2R)-3-(2,4-dimethylphenyl)-2-(2-methylphenoxy)propanoic acid?
(2R)-3-(2,4-dimethylphenyl)-2-(2-methylphenoxy)propanoic acid has a molecular weight of 284.35 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-(2,4-dimethylphenyl)-2-(2-methylphenoxy)propanoic acid is sourced from PubChem (CID 100526538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).