(2S)-3-(2-chlorophenyl)-2-phenoxypropanoic acid

C15H13ClO3 — CID 99646181

IUPAC(2S)-3-(2-chlorophenyl)-2-phenoxypropanoic acid
SMILESO=C(O)[C@H](Cc1ccccc1Cl)Oc1ccccc1
InChIInChI=1S/C15H13ClO3/c16-13-9-5-4-6-11(13)10-14(15(17)18)19-12-7-2-1-3-8-12/h1-9,14H,10H2,(H,17,18)/t14-/m0/s1
InChIKeyCFRFRXYKYGEJTC-AWEZNQCLSA-N
MW276.72 g/mol
LogP3.41
Rot. Bonds5

About (2S)-3-(2-chlorophenyl)-2-phenoxypropanoic acid

(2S)-3-(2-chlorophenyl)-2-phenoxypropanoic acid (PubChem CID 99646181) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is (2S)-3-(2-chlorophenyl)-2-phenoxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-(2-chlorophenyl)-2-phenoxypropanoic acid
PubChem CID99646181
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Name(2S)-3-(2-chlorophenyl)-2-phenoxypropanoic acid
SMILESO=C(O)[C@H](Cc1ccccc1Cl)Oc1ccccc1
InChIInChI=1S/C15H13ClO3/c16-13-9-5-4-6-11(13)10-14(15(17)18)19-12-7-2-1-3-8-12/h1-9,14H,10H2,(H,17,18)/t14-/m0/s1
InChIKeyCFRFRXYKYGEJTC-AWEZNQCLSA-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-(4-tert-butylphenoxy)-3-(2-chlorophenyl)propanoic acid
CID 100533231
(2S)-2-(4-tert-butylphenoxy)-3-(2-chlorophenyl)propanoic acid
CID 100533221
3-(2,4-dichlorophenyl)-2-phenoxypropanoic acid
CID 133245608
3-(2-chlorophenyl)-2-(2-methylphenoxy)propanoic acid
CID 133245331
(2S)-3-(2-chlorophenyl)-2-(2-methylphenoxy)propanoic acid
CID 100533098
3-(3-chloro-2-methylphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 133245475
2-(4-chlorophenoxy)-3-(2-fluorophenyl)propanoic acid
CID 57395675
(2R)-3-(3-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanoic acid
CID 100536256
(2R)-2-(3-chlorophenoxy)-3-(2-ethylphenyl)propanoic acid
CID 100529696
2-(4-chlorophenoxy)-3-(2-methoxyphenyl)propanoic acid
CID 133240973
(2S)-2-(4-chlorophenoxy)-3-(2-phenylsulfanylphenyl)propanoic acid
CID 100549506
3-(2,3-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanoic acid
CID 133245581

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(2-chlorophenyl)-2-phenoxypropanoic acid?
The IUPAC name of (2S)-3-(2-chlorophenyl)-2-phenoxypropanoic acid (CID 99646181) is (2S)-3-(2-chlorophenyl)-2-phenoxypropanoic acid.
What is the SMILES notation for (2S)-3-(2-chlorophenyl)-2-phenoxypropanoic acid?
The canonical SMILES for (2S)-3-(2-chlorophenyl)-2-phenoxypropanoic acid is O=C(O)[C@H](Cc1ccccc1Cl)Oc1ccccc1.
What is the InChIKey of (2S)-3-(2-chlorophenyl)-2-phenoxypropanoic acid?
The InChIKey is CFRFRXYKYGEJTC-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H13ClO3/c16-13-9-5-4-6-11(13)10-14(15(17)18)19-12-7-2-1-3-8-12/h1-9,14H,10H2,(H,17,18)/t14-/m0/s1.
What are the key properties of (2S)-3-(2-chlorophenyl)-2-phenoxypropanoic acid?
(2S)-3-(2-chlorophenyl)-2-phenoxypropanoic 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 (2S)-3-(2-chlorophenyl)-2-phenoxypropanoic acid is sourced from PubChem (CID 99646181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).