(2R)-2-(3,4-dimethylphenoxy)-3-(4-fluorophenyl)propanoic acid

C17H17FO3 — CID 100532922

IUPAC(2R)-2-(3,4-dimethylphenoxy)-3-(4-fluorophenyl)propanoic acid
SMILESCc1ccc(O[C@H](Cc2ccc(F)cc2)C(=O)O)cc1C
InChIInChI=1S/C17H17FO3/c1-11-3-8-15(9-12(11)2)21-16(17(19)20)10-13-4-6-14(18)7-5-13/h3-9,16H,10H2,1-2H3,(H,19,20)/t16-/m1/s1
InChIKeyZIADZKIMHFIIRY-MRXNPFEDSA-N
MW288.32 g/mol
LogP3.52
Rot. Bonds5

About (2R)-2-(3,4-dimethylphenoxy)-3-(4-fluorophenyl)propanoic acid

(2R)-2-(3,4-dimethylphenoxy)-3-(4-fluorophenyl)propanoic acid (PubChem CID 100532922) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is (2R)-2-(3,4-dimethylphenoxy)-3-(4-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(3,4-dimethylphenoxy)-3-(4-fluorophenyl)propanoic acid
PubChem CID100532922
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Name(2R)-2-(3,4-dimethylphenoxy)-3-(4-fluorophenyl)propanoic acid
SMILESCc1ccc(O[C@H](Cc2ccc(F)cc2)C(=O)O)cc1C
InChIInChI=1S/C17H17FO3/c1-11-3-8-15(9-12(11)2)21-16(17(19)20)10-13-4-6-14(18)7-5-13/h3-9,16H,10H2,1-2H3,(H,19,20)/t16-/m1/s1
InChIKeyZIADZKIMHFIIRY-MRXNPFEDSA-N
XLogP3.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3,4-dimethylphenoxy)-3-(3,4-dimethylphenyl)propanoic acid
CID 100528641
(2S)-2-(3,4-dimethylphenoxy)-3-(4-phenoxyphenyl)propanoic acid
CID 100544971
(2R)-2-(3,4-dimethylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid
CID 100531124
2-(4-chlorophenoxy)-3-(4-fluorophenyl)propanoic acid
CID 57400967
(2S)-3-(3,4-dimethylphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 100528680
(2S)-2-(3,4-dimethylphenoxy)-3-(2,6-dimethylphenyl)propanoic acid
CID 100528037
(2S)-2-(3-chlorophenoxy)-3-(3,4-dimethylphenyl)propanoic acid
CID 100528397
2-(3,4-dimethylphenoxy)-4-(methylamino)butanoic acid
CID 112518212
(2S)-2-(4-methoxyphenoxy)-3-(4-methylphenyl)propanoic acid
CID 100525673
(2R)-2-(3,4-dimethylphenoxy)-3-naphthalen-1-ylpropanoic acid
CID 100531748
2-(3,4-dimethylphenoxy)-3-naphthalen-1-ylpropanoic acid
CID 133150211
(2S)-3-(3-chloro-4-methoxyphenyl)-2-(4-chloro-3-methylphenoxy)propanoic acid
CID 100547805

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dimethylphenoxy)-3-(4-fluorophenyl)propanoic acid?
The IUPAC name of (2R)-2-(3,4-dimethylphenoxy)-3-(4-fluorophenyl)propanoic acid (CID 100532922) is (2R)-2-(3,4-dimethylphenoxy)-3-(4-fluorophenyl)propanoic acid.
What is the SMILES notation for (2R)-2-(3,4-dimethylphenoxy)-3-(4-fluorophenyl)propanoic acid?
The canonical SMILES for (2R)-2-(3,4-dimethylphenoxy)-3-(4-fluorophenyl)propanoic acid is Cc1ccc(O[C@H](Cc2ccc(F)cc2)C(=O)O)cc1C.
What is the InChIKey of (2R)-2-(3,4-dimethylphenoxy)-3-(4-fluorophenyl)propanoic acid?
The InChIKey is ZIADZKIMHFIIRY-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17FO3/c1-11-3-8-15(9-12(11)2)21-16(17(19)20)10-13-4-6-14(18)7-5-13/h3-9,16H,10H2,1-2H3,(H,19,20)/t16-/m1/s1.
What are the key properties of (2R)-2-(3,4-dimethylphenoxy)-3-(4-fluorophenyl)propanoic acid?
(2R)-2-(3,4-dimethylphenoxy)-3-(4-fluorophenyl)propanoic acid has a molecular weight of 288.32 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dimethylphenoxy)-3-(4-fluorophenyl)propanoic acid is sourced from PubChem (CID 100532922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).