(2R)-2-(3-chlorophenoxy)-3-phenylpropanoic acid

C15H13ClO3 — CID 100524120

IUPAC(2R)-2-(3-chlorophenoxy)-3-phenylpropanoic acid
SMILESO=C(O)[C@@H](Cc1ccccc1)Oc1cccc(Cl)c1
InChIInChI=1S/C15H13ClO3/c16-12-7-4-8-13(10-12)19-14(15(17)18)9-11-5-2-1-3-6-11/h1-8,10,14H,9H2,(H,17,18)/t14-/m1/s1
InChIKeyPLRWYEJDLPLAGZ-CQSZACIVSA-N
MW276.72 g/mol
LogP3.41
Rot. Bonds5

About (2R)-2-(3-chlorophenoxy)-3-phenylpropanoic acid

(2R)-2-(3-chlorophenoxy)-3-phenylpropanoic acid (PubChem CID 100524120) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenoxy)-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenoxy)-3-phenylpropanoic acid
PubChem CID100524120
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Name(2R)-2-(3-chlorophenoxy)-3-phenylpropanoic acid
SMILESO=C(O)[C@@H](Cc1ccccc1)Oc1cccc(Cl)c1
InChIInChI=1S/C15H13ClO3/c16-12-7-4-8-13(10-12)19-14(15(17)18)9-11-5-2-1-3-6-11/h1-8,10,14H,9H2,(H,17,18)/t14-/m1/s1
InChIKeyPLRWYEJDLPLAGZ-CQSZACIVSA-N
XLogP3.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-chlorophenoxy)-3-(4-phenoxyphenyl)propanoic acid
CID 100544750
(2R)-2-(3-chlorophenoxy)-3-(4-iodophenyl)propanoic acid
CID 100535710
2-(3-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid
CID 133241068
(2R)-2-(3-chlorophenoxy)-3-(2-ethylphenyl)propanoic acid
CID 100529696
(2S)-2-(3-chlorophenoxy)-3-(3,4-dimethylphenyl)propanoic acid
CID 100528397
(2S)-3-(3-chlorophenyl)-2-(4-methoxyphenoxy)propanoic acid
CID 100533934
(2R)-2-(3-methoxyphenoxy)-3-phenylpropanoic acid
CID 100524279
(2R)-2-(4-chlorophenoxy)-3-(3-methoxyphenyl)propanoic acid
CID 100542483
(2R)-2-(3-chlorophenoxy)-3-(2,3-dimethylphenyl)propanoic acid
CID 100525996
(2R)-3-(3-bromophenyl)-2-phenoxypropanoic acid
CID 100534593
(2R)-3-(3,5-dichlorophenyl)-2-(3-methylphenoxy)propanoic acid
CID 100540560
2-(3-chlorophenoxy)-3-(2,5-dimethylphenyl)propanoic acid
CID 133150429

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenoxy)-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-(3-chlorophenoxy)-3-phenylpropanoic acid (CID 100524120) is (2R)-2-(3-chlorophenoxy)-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-(3-chlorophenoxy)-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-(3-chlorophenoxy)-3-phenylpropanoic acid is O=C(O)[C@@H](Cc1ccccc1)Oc1cccc(Cl)c1.
What is the InChIKey of (2R)-2-(3-chlorophenoxy)-3-phenylpropanoic acid?
The InChIKey is PLRWYEJDLPLAGZ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H13ClO3/c16-12-7-4-8-13(10-12)19-14(15(17)18)9-11-5-2-1-3-6-11/h1-8,10,14H,9H2,(H,17,18)/t14-/m1/s1.
What are the key properties of (2R)-2-(3-chlorophenoxy)-3-phenylpropanoic acid?
(2R)-2-(3-chlorophenoxy)-3-phenylpropanoic acid has a molecular weight of 276.72 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenoxy)-3-phenylpropanoic acid is sourced from PubChem (CID 100524120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).