(2R)-3-(5-chloro-2-phenoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid

C22H19ClO5 — CID 100550251

IUPAC(2R)-3-(5-chloro-2-phenoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid
SMILESCOc1ccccc1O[C@H](Cc1cc(Cl)ccc1Oc1ccccc1)C(=O)O
InChIInChI=1S/C22H19ClO5/c1-26-19-9-5-6-10-20(19)28-21(22(24)25)14-15-13-16(23)11-12-18(15)27-17-7-3-2-4-8-17/h2-13,21H,14H2,1H3,(H,24,25)/t21-/m1/s1
InChIKeyOTDAQLJYRJCFOZ-OAQYLSRUSA-N
MW398.84 g/mol
LogP5.22
Rot. Bonds8

About (2R)-3-(5-chloro-2-phenoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid

(2R)-3-(5-chloro-2-phenoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid (PubChem CID 100550251) has the molecular formula C22H19ClO5 and a molecular weight of 398.84 g/mol. Its IUPAC name is (2R)-3-(5-chloro-2-phenoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid.

Molecular Properties

Compound Name(2R)-3-(5-chloro-2-phenoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid
PubChem CID100550251
Molecular FormulaC22H19ClO5
Molecular Weight398.84 g/mol
Exact Mass398.09
IUPAC Name(2R)-3-(5-chloro-2-phenoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid
SMILESCOc1ccccc1O[C@H](Cc1cc(Cl)ccc1Oc1ccccc1)C(=O)O
InChIInChI=1S/C22H19ClO5/c1-26-19-9-5-6-10-20(19)28-21(22(24)25)14-15-13-16(23)11-12-18(15)27-17-7-3-2-4-8-17/h2-13,21H,14H2,1H3,(H,24,25)/t21-/m1/s1
InChIKeyOTDAQLJYRJCFOZ-OAQYLSRUSA-N
XLogP5.22
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.84
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid
CID 133241219
(2S)-3-(5-chloro-2-phenoxyphenyl)-2-(4-methoxyphenoxy)propanoic acid
CID 100550282
(2R)-2-(2-methoxyphenoxy)-3-(2-phenoxyphenyl)propanoic acid
CID 100551442
2-(4-chlorophenoxy)-3-(5-chloro-2-phenoxyphenyl)propanoic acid
CID 133241354
(2S)-3-(5-chloro-2-phenoxyphenyl)-2-(3,4-dimethylphenoxy)propanoic acid
CID 100550322
(2R)-2-(4-tert-butylphenoxy)-3-(5-chloro-2-phenoxyphenyl)propanoic acid
CID 100550157
3-(5-chloro-2-phenoxyphenyl)-2-(3,5-dimethylphenoxy)propanoic acid
CID 133241357
(2R)-3-(5-chloro-2-phenoxyphenyl)-2-(3,5-dimethylphenoxy)propanoic acid
CID 100550176
(2R)-3-(5-chloro-2-phenoxyphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100550207
3-(5-chloro-2-phenoxyphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 133241367
3-(4-chloro-2-methylphenyl)-2-(2-methoxyphenoxy)propanoic acid
CID 133230900
(2R)-3-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenoxy)propanoic acid
CID 100547124

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(5-chloro-2-phenoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid?
The IUPAC name of (2R)-3-(5-chloro-2-phenoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid (CID 100550251) is (2R)-3-(5-chloro-2-phenoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid.
What is the SMILES notation for (2R)-3-(5-chloro-2-phenoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid?
The canonical SMILES for (2R)-3-(5-chloro-2-phenoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid is COc1ccccc1O[C@H](Cc1cc(Cl)ccc1Oc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-3-(5-chloro-2-phenoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid?
The InChIKey is OTDAQLJYRJCFOZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H19ClO5/c1-26-19-9-5-6-10-20(19)28-21(22(24)25)14-15-13-16(23)11-12-18(15)27-17-7-3-2-4-8-17/h2-13,21H,14H2,1H3,(H,24,25)/t21-/m1/s1.
What are the key properties of (2R)-3-(5-chloro-2-phenoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid?
(2R)-3-(5-chloro-2-phenoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid has a molecular weight of 398.84 g/mol, XLogP of 5.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(5-chloro-2-phenoxyphenyl)-2-(2-methoxyphenoxy)propanoic acid is sourced from PubChem (CID 100550251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).