(2R)-3-(2-methylphenyl)-2-(4-phenylphenoxy)propanoic acid

C22H20O3 — CID 100524579

IUPAC(2R)-3-(2-methylphenyl)-2-(4-phenylphenoxy)propanoic acid
SMILESCc1ccccc1C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C22H20O3/c1-16-7-5-6-10-19(16)15-21(22(23)24)25-20-13-11-18(12-14-20)17-8-3-2-4-9-17/h2-14,21H,15H2,1H3,(H,23,24)/t21-/m1/s1
InChIKeyMYFPBZPEHRGOFV-OAQYLSRUSA-N
MW332.40 g/mol
LogP4.74
Rot. Bonds6

About (2R)-3-(2-methylphenyl)-2-(4-phenylphenoxy)propanoic acid

(2R)-3-(2-methylphenyl)-2-(4-phenylphenoxy)propanoic acid (PubChem CID 100524579) has the molecular formula C22H20O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is (2R)-3-(2-methylphenyl)-2-(4-phenylphenoxy)propanoic acid.

Molecular Properties

Compound Name(2R)-3-(2-methylphenyl)-2-(4-phenylphenoxy)propanoic acid
PubChem CID100524579
Molecular FormulaC22H20O3
Molecular Weight332.40 g/mol
Exact Mass332.14
IUPAC Name(2R)-3-(2-methylphenyl)-2-(4-phenylphenoxy)propanoic acid
SMILESCc1ccccc1C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C22H20O3/c1-16-7-5-6-10-19(16)15-21(22(23)24)25-20-13-11-18(12-14-20)17-8-3-2-4-9-17/h2-14,21H,15H2,1H3,(H,23,24)/t21-/m1/s1
InChIKeyMYFPBZPEHRGOFV-OAQYLSRUSA-N
XLogP4.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-(2,6-dimethylphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100527919
3-(3-chloro-2-methylphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 133245475
(2R)-3-(2,5-dimethylphenyl)-2-(4-methylphenoxy)propanoic acid
CID 100527186
3-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 133241025
(2R)-3-(4-ethylphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100530411
(2S)-3-(3-methylphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100525101
(2S)-2-(4-chlorophenoxy)-3-(2,3-dimethylphenyl)propanoic acid
CID 100526025
2-[4-(3-methylphenyl)phenoxy]-3-phenylpropanoic acid
CID 71544681
(2S)-2-(4-methylphenoxy)-3-(2-phenylsulfanylphenyl)propanoic acid
CID 100549442
(2R)-3-(4-chlorophenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100534298
(2R)-3-(4-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanoic acid
CID 100536865
(2R)-3-(3-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanoic acid
CID 100536256

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2-methylphenyl)-2-(4-phenylphenoxy)propanoic acid?
The IUPAC name of (2R)-3-(2-methylphenyl)-2-(4-phenylphenoxy)propanoic acid (CID 100524579) is (2R)-3-(2-methylphenyl)-2-(4-phenylphenoxy)propanoic acid.
What is the SMILES notation for (2R)-3-(2-methylphenyl)-2-(4-phenylphenoxy)propanoic acid?
The canonical SMILES for (2R)-3-(2-methylphenyl)-2-(4-phenylphenoxy)propanoic acid is Cc1ccccc1C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)O.
What is the InChIKey of (2R)-3-(2-methylphenyl)-2-(4-phenylphenoxy)propanoic acid?
The InChIKey is MYFPBZPEHRGOFV-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H20O3/c1-16-7-5-6-10-19(16)15-21(22(23)24)25-20-13-11-18(12-14-20)17-8-3-2-4-9-17/h2-14,21H,15H2,1H3,(H,23,24)/t21-/m1/s1.
What are the key properties of (2R)-3-(2-methylphenyl)-2-(4-phenylphenoxy)propanoic acid?
(2R)-3-(2-methylphenyl)-2-(4-phenylphenoxy)propanoic acid has a molecular weight of 332.40 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2-methylphenyl)-2-(4-phenylphenoxy)propanoic acid is sourced from PubChem (CID 100524579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).