(2R)-3-(3-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanoic acid

C17H17ClO3 — CID 100536256

IUPAC(2R)-3-(3-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanoic acid
SMILESCc1ccc(O[C@H](Cc2cccc(Cl)c2C)C(=O)O)cc1
InChIInChI=1S/C17H17ClO3/c1-11-6-8-14(9-7-11)21-16(17(19)20)10-13-4-3-5-15(18)12(13)2/h3-9,16H,10H2,1-2H3,(H,19,20)/t16-/m1/s1
InChIKeyWFWZXZQTWVQTFR-MRXNPFEDSA-N
MW304.77 g/mol
LogP4.03
Rot. Bonds5

About (2R)-3-(3-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanoic acid

(2R)-3-(3-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanoic acid (PubChem CID 100536256) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is (2R)-3-(3-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanoic acid.

Molecular Properties

Compound Name(2R)-3-(3-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanoic acid
PubChem CID100536256
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Name(2R)-3-(3-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanoic acid
SMILESCc1ccc(O[C@H](Cc2cccc(Cl)c2C)C(=O)O)cc1
InChIInChI=1S/C17H17ClO3/c1-11-6-8-14(9-7-11)21-16(17(19)20)10-13-4-3-5-15(18)12(13)2/h3-9,16H,10H2,1-2H3,(H,19,20)/t16-/m1/s1
InChIKeyWFWZXZQTWVQTFR-MRXNPFEDSA-N
XLogP4.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-2-methylphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 133245475
(2S)-2-(4-chlorophenoxy)-3-(2,3-dimethylphenyl)propanoic acid
CID 100526025
(2S)-3-(2-chlorophenyl)-2-phenoxypropanoic acid
CID 99646181
3-(2,3-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanoic acid
CID 133245581
(2S)-3-(3-chloro-2-methylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid
CID 100536437
3-(2,3-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanoic acid
CID 133245588
(2R)-3-(4-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanoic acid
CID 100536865
(2S)-2-(4-tert-butylphenoxy)-3-(2-chlorophenyl)propanoic acid
CID 100533221
(2R)-2-(4-tert-butylphenoxy)-3-(2-chlorophenyl)propanoic acid
CID 100533231
(2R)-2-(3-chlorophenoxy)-3-(2,3-dimethylphenyl)propanoic acid
CID 100525996
(2S)-2-(4-methylphenoxy)-3-(2-phenylsulfanylphenyl)propanoic acid
CID 100549442
(2R)-3-(2,5-dimethylphenyl)-2-(4-methylphenoxy)propanoic acid
CID 100527186

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanoic acid?
The IUPAC name of (2R)-3-(3-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanoic acid (CID 100536256) is (2R)-3-(3-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanoic acid.
What is the SMILES notation for (2R)-3-(3-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanoic acid?
The canonical SMILES for (2R)-3-(3-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanoic acid is Cc1ccc(O[C@H](Cc2cccc(Cl)c2C)C(=O)O)cc1.
What is the InChIKey of (2R)-3-(3-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanoic acid?
The InChIKey is WFWZXZQTWVQTFR-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17ClO3/c1-11-6-8-14(9-7-11)21-16(17(19)20)10-13-4-3-5-15(18)12(13)2/h3-9,16H,10H2,1-2H3,(H,19,20)/t16-/m1/s1.
What are the key properties of (2R)-3-(3-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanoic acid?
(2R)-3-(3-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanoic acid has a molecular weight of 304.77 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(3-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanoic acid is sourced from PubChem (CID 100536256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).