(2R)-3-(2,5-dimethylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid

C20H24O3 — CID 100527362

IUPAC(2R)-3-(2,5-dimethylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid
SMILESCc1ccc(C)c(C[C@@H](Oc2ccccc2C(C)C)C(=O)O)c1
InChIInChI=1S/C20H24O3/c1-13(2)17-7-5-6-8-18(17)23-19(20(21)22)12-16-11-14(3)9-10-15(16)4/h5-11,13,19H,12H2,1-4H3,(H,21,22)/t19-/m1/s1
InChIKeyBSRQQNFBDJUZIR-LJQANCHMSA-N
MW312.41 g/mol
LogP4.50
Rot. Bonds6

About (2R)-3-(2,5-dimethylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid

(2R)-3-(2,5-dimethylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid (PubChem CID 100527362) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is (2R)-3-(2,5-dimethylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid.

Molecular Properties

Compound Name(2R)-3-(2,5-dimethylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid
PubChem CID100527362
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name(2R)-3-(2,5-dimethylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid
SMILESCc1ccc(C)c(C[C@@H](Oc2ccccc2C(C)C)C(=O)O)c1
InChIInChI=1S/C20H24O3/c1-13(2)17-7-5-6-8-18(17)23-19(20(21)22)12-16-11-14(3)9-10-15(16)4/h5-11,13,19H,12H2,1-4H3,(H,21,22)/t19-/m1/s1
InChIKeyBSRQQNFBDJUZIR-LJQANCHMSA-N
XLogP4.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-dimethylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid
CID 133150505
(2R)-3-(2,5-dimethylphenyl)-2-(4-methylphenoxy)propanoic acid
CID 100527186
(2S)-3-(3-chloro-2-methylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid
CID 100536437
(2R)-3-(2,4-dimethylphenyl)-2-(2-methylphenoxy)propanoic acid
CID 100526538
2-(3-chlorophenoxy)-3-(2,5-dimethylphenyl)propanoic acid
CID 133150429
(2R)-3-(4-ethylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid
CID 100530432
(2S)-3-(2-ethylphenyl)-2-(2-methylphenoxy)propanoic acid
CID 100529624
(2S)-3-(5-chloro-2-methylphenyl)-2-naphthalen-1-yloxypropanoic acid
CID 100537884
(2S)-3-(4-butylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid
CID 100549023
2-(2-chlorophenyl)-3-(2,5-dimethylphenyl)propanoic acid
CID 79439737
(2R)-2-(2-methylphenoxy)-3-(4-methylphenyl)propanoic acid
CID 100525412
(2S)-3-(5-chloro-2-methylphenyl)-2-(2,3,5-trimethylphenoxy)propanoic acid
CID 100537835

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2,5-dimethylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid?
The IUPAC name of (2R)-3-(2,5-dimethylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid (CID 100527362) is (2R)-3-(2,5-dimethylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid.
What is the SMILES notation for (2R)-3-(2,5-dimethylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid?
The canonical SMILES for (2R)-3-(2,5-dimethylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid is Cc1ccc(C)c(C[C@@H](Oc2ccccc2C(C)C)C(=O)O)c1.
What is the InChIKey of (2R)-3-(2,5-dimethylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid?
The InChIKey is BSRQQNFBDJUZIR-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24O3/c1-13(2)17-7-5-6-8-18(17)23-19(20(21)22)12-16-11-14(3)9-10-15(16)4/h5-11,13,19H,12H2,1-4H3,(H,21,22)/t19-/m1/s1.
What are the key properties of (2R)-3-(2,5-dimethylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid?
(2R)-3-(2,5-dimethylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid has a molecular weight of 312.41 g/mol, XLogP of 4.50, 6 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-(2-propan-2-ylphenoxy)propanoic acid is sourced from PubChem (CID 100527362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).