(2S)-3-(2-chlorophenyl)-2-(2-methylphenoxy)propanoic acid

C16H15ClO3 — CID 100533098

IUPAC(2S)-3-(2-chlorophenyl)-2-(2-methylphenoxy)propanoic acid
SMILESCc1ccccc1O[C@@H](Cc1ccccc1Cl)C(=O)O
InChIInChI=1S/C16H15ClO3/c1-11-6-2-5-9-14(11)20-15(16(18)19)10-12-7-3-4-8-13(12)17/h2-9,15H,10H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeyWRKUCSMSLCYMDL-HNNXBMFYSA-N
MW290.75 g/mol
LogP3.72
Rot. Bonds5

About (2S)-3-(2-chlorophenyl)-2-(2-methylphenoxy)propanoic acid

(2S)-3-(2-chlorophenyl)-2-(2-methylphenoxy)propanoic acid (PubChem CID 100533098) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is (2S)-3-(2-chlorophenyl)-2-(2-methylphenoxy)propanoic acid.

Molecular Properties

Compound Name(2S)-3-(2-chlorophenyl)-2-(2-methylphenoxy)propanoic acid
PubChem CID100533098
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name(2S)-3-(2-chlorophenyl)-2-(2-methylphenoxy)propanoic acid
SMILESCc1ccccc1O[C@@H](Cc1ccccc1Cl)C(=O)O
InChIInChI=1S/C16H15ClO3/c1-11-6-2-5-9-14(11)20-15(16(18)19)10-12-7-3-4-8-13(12)17/h2-9,15H,10H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeyWRKUCSMSLCYMDL-HNNXBMFYSA-N
XLogP3.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenyl)-2-(2-methylphenoxy)propanoic acid
CID 133245331
3-(2,3-dichlorophenyl)-2-(2-methylphenoxy)propanoic acid
CID 133245576
(2S)-3-(2-ethylphenyl)-2-(2-methylphenoxy)propanoic acid
CID 100529624
(2R)-3-(2-fluorophenyl)-2-(2-methylphenoxy)propanoic acid
CID 100531990
(2S)-3-(2-chlorophenyl)-2-phenoxypropanoic acid
CID 99646181
(2S)-2-(2-chlorophenoxy)-3-(2,6-dimethylphenyl)propanoic acid
CID 100527792
3-(3-chloro-4-methylphenyl)-2-(2-methylphenoxy)propanoic acid
CID 133245535
(2R)-3-(2,4-dimethylphenyl)-2-(2-methylphenoxy)propanoic acid
CID 100526538
(2R)-2-(4-tert-butylphenoxy)-3-(2-chlorophenyl)propanoic acid
CID 100533231
(2S)-2-(4-tert-butylphenoxy)-3-(2-chlorophenyl)propanoic acid
CID 100533221
(2R)-2-(2-methylphenoxy)-3-(4-methylphenyl)propanoic acid
CID 100525412
(2S)-3-(3-chloro-2-methylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid
CID 100536437

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(2-chlorophenyl)-2-(2-methylphenoxy)propanoic acid?
The IUPAC name of (2S)-3-(2-chlorophenyl)-2-(2-methylphenoxy)propanoic acid (CID 100533098) is (2S)-3-(2-chlorophenyl)-2-(2-methylphenoxy)propanoic acid.
What is the SMILES notation for (2S)-3-(2-chlorophenyl)-2-(2-methylphenoxy)propanoic acid?
The canonical SMILES for (2S)-3-(2-chlorophenyl)-2-(2-methylphenoxy)propanoic acid is Cc1ccccc1O[C@@H](Cc1ccccc1Cl)C(=O)O.
What is the InChIKey of (2S)-3-(2-chlorophenyl)-2-(2-methylphenoxy)propanoic acid?
The InChIKey is WRKUCSMSLCYMDL-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-11-6-2-5-9-14(11)20-15(16(18)19)10-12-7-3-4-8-13(12)17/h2-9,15H,10H2,1H3,(H,18,19)/t15-/m0/s1.
What are the key properties of (2S)-3-(2-chlorophenyl)-2-(2-methylphenoxy)propanoic acid?
(2S)-3-(2-chlorophenyl)-2-(2-methylphenoxy)propanoic acid has a molecular weight of 290.75 g/mol, XLogP of 3.72, 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-(2-methylphenoxy)propanoic acid is sourced from PubChem (CID 100533098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).