(2R)-3-(3,5-dichlorophenyl)-2-(3-methylphenoxy)propanoic acid

C16H14Cl2O3 — CID 100540560

IUPAC(2R)-3-(3,5-dichlorophenyl)-2-(3-methylphenoxy)propanoic acid
SMILESCc1cccc(O[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)O)c1
InChIInChI=1S/C16H14Cl2O3/c1-10-3-2-4-14(5-10)21-15(16(19)20)8-11-6-12(17)9-13(18)7-11/h2-7,9,15H,8H2,1H3,(H,19,20)/t15-/m1/s1
InChIKeyOCRJIQRDTBMTHC-OAHLLOKOSA-N
MW325.19 g/mol
LogP4.38
Rot. Bonds5

About (2R)-3-(3,5-dichlorophenyl)-2-(3-methylphenoxy)propanoic acid

(2R)-3-(3,5-dichlorophenyl)-2-(3-methylphenoxy)propanoic acid (PubChem CID 100540560) has the molecular formula C16H14Cl2O3 and a molecular weight of 325.19 g/mol. Its IUPAC name is (2R)-3-(3,5-dichlorophenyl)-2-(3-methylphenoxy)propanoic acid.

Molecular Properties

Compound Name(2R)-3-(3,5-dichlorophenyl)-2-(3-methylphenoxy)propanoic acid
PubChem CID100540560
Molecular FormulaC16H14Cl2O3
Molecular Weight325.19 g/mol
Exact Mass324.03
IUPAC Name(2R)-3-(3,5-dichlorophenyl)-2-(3-methylphenoxy)propanoic acid
SMILESCc1cccc(O[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)O)c1
InChIInChI=1S/C16H14Cl2O3/c1-10-3-2-4-14(5-10)21-15(16(19)20)8-11-6-12(17)9-13(18)7-11/h2-7,9,15H,8H2,1H3,(H,19,20)/t15-/m1/s1
InChIKeyOCRJIQRDTBMTHC-OAHLLOKOSA-N
XLogP4.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-(3,5-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanoic acid
CID 100540705
3-(3-chloro-4-methylphenyl)-2-(3-methylphenoxy)propanoic acid
CID 133245536
(2S)-3-(4-iodophenyl)-2-(3-methylphenoxy)propanoic acid
CID 100535647
(2R)-3-(5-chloro-2-methylphenyl)-2-(3-methylphenoxy)propanoic acid
CID 100537567
3-(3-chloro-4-methoxyphenyl)-2-(3-methylphenoxy)propanoic acid
CID 133241237
2-(3-methoxyphenoxy)-3-(3-methylphenyl)propanoic acid
CID 133148719
2-(4-tert-butylphenoxy)-3-(3,5-dichlorophenyl)propanoic acid
CID 133245667
(2S)-2-(3-methylphenoxy)butanedioic acid
CID 141249826
2-(3-methylphenoxy)butanoic acid
CID 4778922
(2R)-2-(4-chloro-3-methylphenoxy)-3-(3-methylphenyl)propanoic acid
CID 100525071
(2R)-2-(3-chlorophenoxy)-3-phenylpropanoic acid
CID 100524120
(2R)-2-(3-methylphenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 100541174

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3,5-dichlorophenyl)-2-(3-methylphenoxy)propanoic acid?
The IUPAC name of (2R)-3-(3,5-dichlorophenyl)-2-(3-methylphenoxy)propanoic acid (CID 100540560) is (2R)-3-(3,5-dichlorophenyl)-2-(3-methylphenoxy)propanoic acid.
What is the SMILES notation for (2R)-3-(3,5-dichlorophenyl)-2-(3-methylphenoxy)propanoic acid?
The canonical SMILES for (2R)-3-(3,5-dichlorophenyl)-2-(3-methylphenoxy)propanoic acid is Cc1cccc(O[C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)O)c1.
What is the InChIKey of (2R)-3-(3,5-dichlorophenyl)-2-(3-methylphenoxy)propanoic acid?
The InChIKey is OCRJIQRDTBMTHC-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H14Cl2O3/c1-10-3-2-4-14(5-10)21-15(16(19)20)8-11-6-12(17)9-13(18)7-11/h2-7,9,15H,8H2,1H3,(H,19,20)/t15-/m1/s1.
What are the key properties of (2R)-3-(3,5-dichlorophenyl)-2-(3-methylphenoxy)propanoic acid?
(2R)-3-(3,5-dichlorophenyl)-2-(3-methylphenoxy)propanoic acid has a molecular weight of 325.19 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(3,5-dichlorophenyl)-2-(3-methylphenoxy)propanoic acid is sourced from PubChem (CID 100540560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).