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

C21H17ClO3 — CID 100534298

IUPAC(2R)-3-(4-chlorophenyl)-2-(4-phenylphenoxy)propanoic acid
SMILESO=C(O)[C@@H](Cc1ccc(Cl)cc1)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H17ClO3/c22-18-10-6-15(7-11-18)14-20(21(23)24)25-19-12-8-17(9-13-19)16-4-2-1-3-5-16/h1-13,20H,14H2,(H,23,24)/t20-/m1/s1
InChIKeyZMKNSJZTYZEZCW-HXUWFJFHSA-N
MW352.82 g/mol
LogP5.08
Rot. Bonds6

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

(2R)-3-(4-chlorophenyl)-2-(4-phenylphenoxy)propanoic acid (PubChem CID 100534298) has the molecular formula C21H17ClO3 and a molecular weight of 352.82 g/mol. Its IUPAC name is (2R)-3-(4-chlorophenyl)-2-(4-phenylphenoxy)propanoic acid.

Molecular Properties

Compound Name(2R)-3-(4-chlorophenyl)-2-(4-phenylphenoxy)propanoic acid
PubChem CID100534298
Molecular FormulaC21H17ClO3
Molecular Weight352.82 g/mol
Exact Mass352.09
IUPAC Name(2R)-3-(4-chlorophenyl)-2-(4-phenylphenoxy)propanoic acid
SMILESO=C(O)[C@@H](Cc1ccc(Cl)cc1)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H17ClO3/c22-18-10-6-15(7-11-18)14-20(21(23)24)25-19-12-8-17(9-13-19)16-4-2-1-3-5-16/h1-13,20H,14H2,(H,23,24)/t20-/m1/s1
InChIKeyZMKNSJZTYZEZCW-HXUWFJFHSA-N
XLogP5.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.82
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 133241025
(2R)-3-(4-ethylphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100530411
2-(4-chlorophenoxy)-3-(4-hydroxyphenyl)propanoic acid
CID 91594906
2-(4-chlorophenoxy)-3-(4-fluorophenyl)propanoic acid
CID 57400967
(2S)-2-(4-chlorophenoxy)-3-(4-iodophenyl)propanoic acid
CID 100535737
2-(4-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid
CID 133241069
(2S)-2-(4-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid
CID 100544211
2-(4-chlorophenoxy)-3-(4-propylphenyl)propanoic acid
CID 44589957
2-[4-(3-methylphenyl)phenoxy]-3-phenylpropanoic acid
CID 71544681
(2R)-2-(3-chlorophenoxy)-3-(4-phenoxyphenyl)propanoic acid
CID 100544750
(2R)-3-(4-methoxyphenyl)-2-phenoxypropanoic acid
CID 100542931
(2R)-3-(5-chloro-2-phenoxyphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100550207

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-chlorophenyl)-2-(4-phenylphenoxy)propanoic acid?
The IUPAC name of (2R)-3-(4-chlorophenyl)-2-(4-phenylphenoxy)propanoic acid (CID 100534298) is (2R)-3-(4-chlorophenyl)-2-(4-phenylphenoxy)propanoic acid.
What is the SMILES notation for (2R)-3-(4-chlorophenyl)-2-(4-phenylphenoxy)propanoic acid?
The canonical SMILES for (2R)-3-(4-chlorophenyl)-2-(4-phenylphenoxy)propanoic acid is O=C(O)[C@@H](Cc1ccc(Cl)cc1)Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2R)-3-(4-chlorophenyl)-2-(4-phenylphenoxy)propanoic acid?
The InChIKey is ZMKNSJZTYZEZCW-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H17ClO3/c22-18-10-6-15(7-11-18)14-20(21(23)24)25-19-12-8-17(9-13-19)16-4-2-1-3-5-16/h1-13,20H,14H2,(H,23,24)/t20-/m1/s1.
What are the key properties of (2R)-3-(4-chlorophenyl)-2-(4-phenylphenoxy)propanoic acid?
(2R)-3-(4-chlorophenyl)-2-(4-phenylphenoxy)propanoic acid has a molecular weight of 352.82 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-chlorophenyl)-2-(4-phenylphenoxy)propanoic acid is sourced from PubChem (CID 100534298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).