(2R)-3-(2,6-dimethylphenyl)-2-(2,3,5-trimethylphenoxy)propanoic acid

C20H24O3 — CID 100528023

IUPAC(2R)-3-(2,6-dimethylphenyl)-2-(2,3,5-trimethylphenoxy)propanoic acid
SMILESCc1cc(C)c(C)c(O[C@H](Cc2c(C)cccc2C)C(=O)O)c1
InChIInChI=1S/C20H24O3/c1-12-9-15(4)16(5)18(10-12)23-19(20(21)22)11-17-13(2)7-6-8-14(17)3/h6-10,19H,11H2,1-5H3,(H,21,22)/t19-/m1/s1
InChIKeyDLJALKWFYZUUAE-LJQANCHMSA-N
MW312.41 g/mol
LogP4.30
Rot. Bonds5

About (2R)-3-(2,6-dimethylphenyl)-2-(2,3,5-trimethylphenoxy)propanoic acid

(2R)-3-(2,6-dimethylphenyl)-2-(2,3,5-trimethylphenoxy)propanoic acid (PubChem CID 100528023) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is (2R)-3-(2,6-dimethylphenyl)-2-(2,3,5-trimethylphenoxy)propanoic acid.

Molecular Properties

Compound Name(2R)-3-(2,6-dimethylphenyl)-2-(2,3,5-trimethylphenoxy)propanoic acid
PubChem CID100528023
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name(2R)-3-(2,6-dimethylphenyl)-2-(2,3,5-trimethylphenoxy)propanoic acid
SMILESCc1cc(C)c(C)c(O[C@H](Cc2c(C)cccc2C)C(=O)O)c1
InChIInChI=1S/C20H24O3/c1-12-9-15(4)16(5)18(10-12)23-19(20(21)22)11-17-13(2)7-6-8-14(17)3/h6-10,19H,11H2,1-5H3,(H,21,22)/t19-/m1/s1
InChIKeyDLJALKWFYZUUAE-LJQANCHMSA-N
XLogP4.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxyphenoxy)-3-(2,4,6-trimethylphenyl)propanoic acid
CID 133241387
(2R)-3-(4-iodophenyl)-2-(2,3,5-trimethylphenoxy)propanoic acid
CID 100535930
(2S)-2-(2-chlorophenoxy)-3-(2,6-dimethylphenyl)propanoic acid
CID 100527792
(2S)-3-(4-propan-2-ylphenyl)-2-(2,3,5-trimethylphenoxy)propanoic acid
CID 100531094
(2S)-2-(3,4-dimethylphenoxy)-3-(2,6-dimethylphenyl)propanoic acid
CID 100528037
3-(2,6-dimethylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid
CID 133150505
(2S)-3-(5-chloro-2-methylphenyl)-2-(2,3,5-trimethylphenoxy)propanoic acid
CID 100537835
(2R)-2-(2-tert-butylphenoxy)-3-(2,4,6-trimethylphenyl)propanoic acid
CID 100550726
(2S)-3-(2,4-dimethoxyphenyl)-2-(2,3,5-trimethylphenoxy)propanoic acid
CID 100545560
(2R)-3-(2,6-dimethylphenyl)-2-(4-methoxyphenoxy)propanoic acid
CID 100528002
(2S)-3-(2,6-dimethylphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100527919
(2R)-3-(2,6-dimethylphenyl)-2-ethoxypropanoic acid
CID 100528176

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2,6-dimethylphenyl)-2-(2,3,5-trimethylphenoxy)propanoic acid?
The IUPAC name of (2R)-3-(2,6-dimethylphenyl)-2-(2,3,5-trimethylphenoxy)propanoic acid (CID 100528023) is (2R)-3-(2,6-dimethylphenyl)-2-(2,3,5-trimethylphenoxy)propanoic acid.
What is the SMILES notation for (2R)-3-(2,6-dimethylphenyl)-2-(2,3,5-trimethylphenoxy)propanoic acid?
The canonical SMILES for (2R)-3-(2,6-dimethylphenyl)-2-(2,3,5-trimethylphenoxy)propanoic acid is Cc1cc(C)c(C)c(O[C@H](Cc2c(C)cccc2C)C(=O)O)c1.
What is the InChIKey of (2R)-3-(2,6-dimethylphenyl)-2-(2,3,5-trimethylphenoxy)propanoic acid?
The InChIKey is DLJALKWFYZUUAE-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24O3/c1-12-9-15(4)16(5)18(10-12)23-19(20(21)22)11-17-13(2)7-6-8-14(17)3/h6-10,19H,11H2,1-5H3,(H,21,22)/t19-/m1/s1.
What are the key properties of (2R)-3-(2,6-dimethylphenyl)-2-(2,3,5-trimethylphenoxy)propanoic acid?
(2R)-3-(2,6-dimethylphenyl)-2-(2,3,5-trimethylphenoxy)propanoic acid has a molecular weight of 312.41 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2,6-dimethylphenyl)-2-(2,3,5-trimethylphenoxy)propanoic acid is sourced from PubChem (CID 100528023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).