3-(3-chloro-2-methylphenyl)-2-(4-phenylphenoxy)propanoic acid

C22H19ClO3 — CID 133245475

IUPAC3-(3-chloro-2-methylphenyl)-2-(4-phenylphenoxy)propanoic acid
SMILESCc1c(Cl)cccc1CC(Oc1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C22H19ClO3/c1-15-18(8-5-9-20(15)23)14-21(22(24)25)26-19-12-10-17(11-13-19)16-6-3-2-4-7-16/h2-13,21H,14H2,1H3,(H,24,25)
InChIKeyOEVXZPDORHMODN-UHFFFAOYSA-N
MW366.84 g/mol
LogP5.39
Rot. Bonds6

About 3-(3-chloro-2-methylphenyl)-2-(4-phenylphenoxy)propanoic acid

3-(3-chloro-2-methylphenyl)-2-(4-phenylphenoxy)propanoic acid (PubChem CID 133245475) has the molecular formula C22H19ClO3 and a molecular weight of 366.84 g/mol. Its IUPAC name is 3-(3-chloro-2-methylphenyl)-2-(4-phenylphenoxy)propanoic acid.

Molecular Properties

Compound Name3-(3-chloro-2-methylphenyl)-2-(4-phenylphenoxy)propanoic acid
PubChem CID133245475
Molecular FormulaC22H19ClO3
Molecular Weight366.84 g/mol
Exact Mass366.10
IUPAC Name3-(3-chloro-2-methylphenyl)-2-(4-phenylphenoxy)propanoic acid
SMILESCc1c(Cl)cccc1CC(Oc1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C22H19ClO3/c1-15-18(8-5-9-20(15)23)14-21(22(24)25)26-19-12-10-17(11-13-19)16-6-3-2-4-7-16/h2-13,21H,14H2,1H3,(H,24,25)
InChIKeyOEVXZPDORHMODN-UHFFFAOYSA-N
XLogP5.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.84
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-(3-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanoic acid
CID 100536256
(2R)-3-(2-methylphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100524579
(2S)-3-(2-chlorophenyl)-2-phenoxypropanoic acid
CID 99646181
(2S)-2-(4-chlorophenoxy)-3-(2,3-dimethylphenyl)propanoic acid
CID 100526025
(2S)-3-(3-chloro-2-methylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid
CID 100536437
(2S)-3-(2,6-dimethylphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100527919
(2S)-2-(4-tert-butylphenoxy)-3-(2-chlorophenyl)propanoic acid
CID 100533221
(2R)-2-(4-tert-butylphenoxy)-3-(2-chlorophenyl)propanoic acid
CID 100533231
3-(2,3-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanoic acid
CID 133245588
(2R)-3-(4-chlorophenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100534298
(2S)-3-(3-methylphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100525101
(2R)-2-(3-chlorophenoxy)-3-(2,3-dimethylphenyl)propanoic acid
CID 100525996

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methylphenyl)-2-(4-phenylphenoxy)propanoic acid?
The IUPAC name of 3-(3-chloro-2-methylphenyl)-2-(4-phenylphenoxy)propanoic acid (CID 133245475) is 3-(3-chloro-2-methylphenyl)-2-(4-phenylphenoxy)propanoic acid.
What is the SMILES notation for 3-(3-chloro-2-methylphenyl)-2-(4-phenylphenoxy)propanoic acid?
The canonical SMILES for 3-(3-chloro-2-methylphenyl)-2-(4-phenylphenoxy)propanoic acid is Cc1c(Cl)cccc1CC(Oc1ccc(-c2ccccc2)cc1)C(=O)O.
What is the InChIKey of 3-(3-chloro-2-methylphenyl)-2-(4-phenylphenoxy)propanoic acid?
The InChIKey is OEVXZPDORHMODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClO3/c1-15-18(8-5-9-20(15)23)14-21(22(24)25)26-19-12-10-17(11-13-19)16-6-3-2-4-7-16/h2-13,21H,14H2,1H3,(H,24,25).
What are the key properties of 3-(3-chloro-2-methylphenyl)-2-(4-phenylphenoxy)propanoic acid?
3-(3-chloro-2-methylphenyl)-2-(4-phenylphenoxy)propanoic acid has a molecular weight of 366.84 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methylphenyl)-2-(4-phenylphenoxy)propanoic acid is sourced from PubChem (CID 133245475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).