(2R)-2-(3-chlorophenoxy)-3-(4-phenoxyphenyl)propanoic acid

C21H17ClO4 — CID 100544750

IUPAC(2R)-2-(3-chlorophenoxy)-3-(4-phenoxyphenyl)propanoic acid
SMILESO=C(O)[C@@H](Cc1ccc(Oc2ccccc2)cc1)Oc1cccc(Cl)c1
InChIInChI=1S/C21H17ClO4/c22-16-5-4-8-19(14-16)26-20(21(23)24)13-15-9-11-18(12-10-15)25-17-6-2-1-3-7-17/h1-12,14,20H,13H2,(H,23,24)/t20-/m1/s1
InChIKeyOWGJQIIMYRBZCH-HXUWFJFHSA-N
MW368.82 g/mol
LogP5.21
Rot. Bonds7

About (2R)-2-(3-chlorophenoxy)-3-(4-phenoxyphenyl)propanoic acid

(2R)-2-(3-chlorophenoxy)-3-(4-phenoxyphenyl)propanoic acid (PubChem CID 100544750) has the molecular formula C21H17ClO4 and a molecular weight of 368.82 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenoxy)-3-(4-phenoxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenoxy)-3-(4-phenoxyphenyl)propanoic acid
PubChem CID100544750
Molecular FormulaC21H17ClO4
Molecular Weight368.82 g/mol
Exact Mass368.08
IUPAC Name(2R)-2-(3-chlorophenoxy)-3-(4-phenoxyphenyl)propanoic acid
SMILESO=C(O)[C@@H](Cc1ccc(Oc2ccccc2)cc1)Oc1cccc(Cl)c1
InChIInChI=1S/C21H17ClO4/c22-16-5-4-8-19(14-16)26-20(21(23)24)13-15-9-11-18(12-10-15)25-17-6-2-1-3-7-17/h1-12,14,20H,13H2,(H,23,24)/t20-/m1/s1
InChIKeyOWGJQIIMYRBZCH-HXUWFJFHSA-N
XLogP5.21
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.82
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-chlorophenoxy)-3-phenylpropanoic acid
CID 100524120
2-(3-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid
CID 133241068
(2R)-2-(3-chlorophenoxy)-3-(4-iodophenyl)propanoic acid
CID 100535710
(2R)-2-naphthalen-2-yloxy-3-(4-phenoxyphenyl)propanoic acid
CID 100545011
(2S)-2-(3-chlorophenoxy)-3-(3,4-dimethylphenyl)propanoic acid
CID 100528397
(2S)-2-(3,4-dimethylphenoxy)-3-(4-phenoxyphenyl)propanoic acid
CID 100544971
(2R)-2-(3-chlorophenoxy)-3-(2-ethylphenyl)propanoic acid
CID 100529696
(2R)-3-(4-chlorophenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100534298
(2S)-3-(3-chlorophenyl)-2-(4-methoxyphenoxy)propanoic acid
CID 100533934
(2R)-3-(4-ethoxyphenyl)-2-phenoxypropanoic acid
CID 100544078
(2S)-2-(3-chlorophenoxy)-3-(2,4-dimethoxyphenyl)propanoic acid
CID 100545329
2-(2-methoxyphenoxy)-3-(4-phenoxyphenyl)propanoic acid
CID 133241102

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenoxy)-3-(4-phenoxyphenyl)propanoic acid?
The IUPAC name of (2R)-2-(3-chlorophenoxy)-3-(4-phenoxyphenyl)propanoic acid (CID 100544750) is (2R)-2-(3-chlorophenoxy)-3-(4-phenoxyphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-(3-chlorophenoxy)-3-(4-phenoxyphenyl)propanoic acid?
The canonical SMILES for (2R)-2-(3-chlorophenoxy)-3-(4-phenoxyphenyl)propanoic acid is O=C(O)[C@@H](Cc1ccc(Oc2ccccc2)cc1)Oc1cccc(Cl)c1.
What is the InChIKey of (2R)-2-(3-chlorophenoxy)-3-(4-phenoxyphenyl)propanoic acid?
The InChIKey is OWGJQIIMYRBZCH-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H17ClO4/c22-16-5-4-8-19(14-16)26-20(21(23)24)13-15-9-11-18(12-10-15)25-17-6-2-1-3-7-17/h1-12,14,20H,13H2,(H,23,24)/t20-/m1/s1.
What are the key properties of (2R)-2-(3-chlorophenoxy)-3-(4-phenoxyphenyl)propanoic acid?
(2R)-2-(3-chlorophenoxy)-3-(4-phenoxyphenyl)propanoic acid has a molecular weight of 368.82 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenoxy)-3-(4-phenoxyphenyl)propanoic acid is sourced from PubChem (CID 100544750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).