(2R)-3-phenyl-2-[4-(2-propan-2-ylphenyl)phenoxy]propanoic acid

C24H24O3 — CID 70680569

IUPAC(2R)-3-phenyl-2-[4-(2-propan-2-ylphenyl)phenoxy]propanoic acid
SMILESCC(C)c1ccccc1-c1ccc(O[C@H](Cc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C24H24O3/c1-17(2)21-10-6-7-11-22(21)19-12-14-20(15-13-19)27-23(24(25)26)16-18-8-4-3-5-9-18/h3-15,17,23H,16H2,1-2H3,(H,25,26)/t23-/m1/s1
InChIKeyLGZFNUULAZCXCA-HSZRJFAPSA-N
MW360.45 g/mol
LogP5.55
Rot. Bonds7

About (2R)-3-phenyl-2-[4-(2-propan-2-ylphenyl)phenoxy]propanoic acid

(2R)-3-phenyl-2-[4-(2-propan-2-ylphenyl)phenoxy]propanoic acid (PubChem CID 70680569) has the molecular formula C24H24O3 and a molecular weight of 360.45 g/mol. Its IUPAC name is (2R)-3-phenyl-2-[4-(2-propan-2-ylphenyl)phenoxy]propanoic acid.

Molecular Properties

Compound Name(2R)-3-phenyl-2-[4-(2-propan-2-ylphenyl)phenoxy]propanoic acid
PubChem CID70680569
Molecular FormulaC24H24O3
Molecular Weight360.45 g/mol
Exact Mass360.17
IUPAC Name(2R)-3-phenyl-2-[4-(2-propan-2-ylphenyl)phenoxy]propanoic acid
SMILESCC(C)c1ccccc1-c1ccc(O[C@H](Cc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C24H24O3/c1-17(2)21-10-6-7-11-22(21)19-12-14-20(15-13-19)27-23(24(25)26)16-18-8-4-3-5-9-18/h3-15,17,23H,16H2,1-2H3,(H,25,26)/t23-/m1/s1
InChIKeyLGZFNUULAZCXCA-HSZRJFAPSA-N
XLogP5.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.45
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-phenyl-2-[4-(2-propan-2-ylphenyl)phenoxy]propanoic acid?
The IUPAC name of (2R)-3-phenyl-2-[4-(2-propan-2-ylphenyl)phenoxy]propanoic acid (CID 70680569) is (2R)-3-phenyl-2-[4-(2-propan-2-ylphenyl)phenoxy]propanoic acid.
What is the SMILES notation for (2R)-3-phenyl-2-[4-(2-propan-2-ylphenyl)phenoxy]propanoic acid?
The canonical SMILES for (2R)-3-phenyl-2-[4-(2-propan-2-ylphenyl)phenoxy]propanoic acid is CC(C)c1ccccc1-c1ccc(O[C@H](Cc2ccccc2)C(=O)O)cc1.
What is the InChIKey of (2R)-3-phenyl-2-[4-(2-propan-2-ylphenyl)phenoxy]propanoic acid?
The InChIKey is LGZFNUULAZCXCA-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H24O3/c1-17(2)21-10-6-7-11-22(21)19-12-14-20(15-13-19)27-23(24(25)26)16-18-8-4-3-5-9-18/h3-15,17,23H,16H2,1-2H3,(H,25,26)/t23-/m1/s1.
What are the key properties of (2R)-3-phenyl-2-[4-(2-propan-2-ylphenyl)phenoxy]propanoic acid?
(2R)-3-phenyl-2-[4-(2-propan-2-ylphenyl)phenoxy]propanoic acid has a molecular weight of 360.45 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-phenyl-2-[4-(2-propan-2-ylphenyl)phenoxy]propanoic acid is sourced from PubChem (CID 70680569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).