(2R)-2-(2-tert-butylphenoxy)-3-(2,4,6-trimethylphenyl)propanoic acid

C22H28O3 — CID 100550726

IUPAC(2R)-2-(2-tert-butylphenoxy)-3-(2,4,6-trimethylphenyl)propanoic acid
SMILESCc1cc(C)c(C[C@@H](Oc2ccccc2C(C)(C)C)C(=O)O)c(C)c1
InChIInChI=1S/C22H28O3/c1-14-11-15(2)17(16(3)12-14)13-20(21(23)24)25-19-10-8-7-9-18(19)22(4,5)6/h7-12,20H,13H2,1-6H3,(H,23,24)/t20-/m1/s1
InChIKeyAMYZYQZUIXPHTJ-HXUWFJFHSA-N
MW340.46 g/mol
LogP4.98
Rot. Bonds5

About (2R)-2-(2-tert-butylphenoxy)-3-(2,4,6-trimethylphenyl)propanoic acid

(2R)-2-(2-tert-butylphenoxy)-3-(2,4,6-trimethylphenyl)propanoic acid (PubChem CID 100550726) has the molecular formula C22H28O3 and a molecular weight of 340.46 g/mol. Its IUPAC name is (2R)-2-(2-tert-butylphenoxy)-3-(2,4,6-trimethylphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-tert-butylphenoxy)-3-(2,4,6-trimethylphenyl)propanoic acid
PubChem CID100550726
Molecular FormulaC22H28O3
Molecular Weight340.46 g/mol
Exact Mass340.20
IUPAC Name(2R)-2-(2-tert-butylphenoxy)-3-(2,4,6-trimethylphenyl)propanoic acid
SMILESCc1cc(C)c(C[C@@H](Oc2ccccc2C(C)(C)C)C(=O)O)c(C)c1
InChIInChI=1S/C22H28O3/c1-14-11-15(2)17(16(3)12-14)13-20(21(23)24)25-19-10-8-7-9-18(19)22(4,5)6/h7-12,20H,13H2,1-6H3,(H,23,24)/t20-/m1/s1
InChIKeyAMYZYQZUIXPHTJ-HXUWFJFHSA-N
XLogP4.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 54.98
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)-2-(2-tert-butylphenoxy)-3-(4-chloro-2-methylphenyl)propanoic acid
CID 100537046
2-(2-tert-butylphenoxy)-3-(4-chloro-2-methylphenyl)propanoic acid
CID 133230889
(2R)-3-(2,6-dimethylphenyl)-2-(2,3,5-trimethylphenoxy)propanoic acid
CID 100528023
2-(2-tert-butylphenoxy)-3-(4-iodophenyl)propanoic acid
CID 133221253
2-(2-tert-butylphenoxy)-3-(4-chlorophenyl)propanoic acid
CID 133245386
3-(3-bromophenyl)-2-(2-tert-butylphenoxy)propanoic acid
CID 133245408
(2R)-2-(2-tert-butylphenoxy)-3-(4-butylphenyl)propanoic acid
CID 100548911
(2S)-2-(2-chlorophenoxy)-3-(2,6-dimethylphenyl)propanoic acid
CID 100527792
3-(2,6-dimethylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid
CID 133150505
(2R)-3-(2,4-dimethylphenyl)-2-(2-methylphenoxy)propanoic acid
CID 100526538
(2R)-2-(2-methylphenoxy)-3-(4-methylphenyl)propanoic acid
CID 100525412

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-tert-butylphenoxy)-3-(2,4,6-trimethylphenyl)propanoic acid?
The IUPAC name of (2R)-2-(2-tert-butylphenoxy)-3-(2,4,6-trimethylphenyl)propanoic acid (CID 100550726) is (2R)-2-(2-tert-butylphenoxy)-3-(2,4,6-trimethylphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-(2-tert-butylphenoxy)-3-(2,4,6-trimethylphenyl)propanoic acid?
The canonical SMILES for (2R)-2-(2-tert-butylphenoxy)-3-(2,4,6-trimethylphenyl)propanoic acid is Cc1cc(C)c(C[C@@H](Oc2ccccc2C(C)(C)C)C(=O)O)c(C)c1.
What is the InChIKey of (2R)-2-(2-tert-butylphenoxy)-3-(2,4,6-trimethylphenyl)propanoic acid?
The InChIKey is AMYZYQZUIXPHTJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H28O3/c1-14-11-15(2)17(16(3)12-14)13-20(21(23)24)25-19-10-8-7-9-18(19)22(4,5)6/h7-12,20H,13H2,1-6H3,(H,23,24)/t20-/m1/s1.
What are the key properties of (2R)-2-(2-tert-butylphenoxy)-3-(2,4,6-trimethylphenyl)propanoic acid?
(2R)-2-(2-tert-butylphenoxy)-3-(2,4,6-trimethylphenyl)propanoic acid has a molecular weight of 340.46 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-tert-butylphenoxy)-3-(2,4,6-trimethylphenyl)propanoic acid is sourced from PubChem (CID 100550726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).