(2R)-3-(4-ethoxyphenyl)-2-phenoxypropanoic acid

C17H18O4 — CID 100544078

IUPAC(2R)-3-(4-ethoxyphenyl)-2-phenoxypropanoic acid
SMILESCCOc1ccc(C[C@@H](Oc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C17H18O4/c1-2-20-14-10-8-13(9-11-14)12-16(17(18)19)21-15-6-4-3-5-7-15/h3-11,16H,2,12H2,1H3,(H,18,19)/t16-/m1/s1
InChIKeyNHHCXCFZVDVYKS-MRXNPFEDSA-N
MW286.33 g/mol
LogP3.16
Rot. Bonds7

About (2R)-3-(4-ethoxyphenyl)-2-phenoxypropanoic acid

(2R)-3-(4-ethoxyphenyl)-2-phenoxypropanoic acid (PubChem CID 100544078) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2R)-3-(4-ethoxyphenyl)-2-phenoxypropanoic acid.

Molecular Properties

Compound Name(2R)-3-(4-ethoxyphenyl)-2-phenoxypropanoic acid
PubChem CID100544078
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name(2R)-3-(4-ethoxyphenyl)-2-phenoxypropanoic acid
SMILESCCOc1ccc(C[C@@H](Oc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C17H18O4/c1-2-20-14-10-8-13(9-11-14)12-16(17(18)19)21-15-6-4-3-5-7-15/h3-11,16H,2,12H2,1H3,(H,18,19)/t16-/m1/s1
InChIKeyNHHCXCFZVDVYKS-MRXNPFEDSA-N
XLogP3.16
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid
CID 100544211
2-(4-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid
CID 133241069
2-(3-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid
CID 133241068
(2R)-2-(4-tert-butylphenoxy)-3-(4-ethoxyphenyl)propanoic acid
CID 100544242
(2R)-3-(4-methoxyphenyl)-2-phenoxypropanoic acid
CID 100542931
(2R)-3-(4-ethylphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100530411
3-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 133241025
3-(4-ethoxyphenyl)-2-phenylpropanoic acid
CID 20994053
(2R)-3-(4-ethylphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 100530574
(2R)-2-(3-chlorophenoxy)-3-(4-phenoxyphenyl)propanoic acid
CID 100544750
(2S)-2-(3,4-dimethylphenoxy)-3-(4-phenoxyphenyl)propanoic acid
CID 100544971
(2R)-3-(4-chlorophenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100534298

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-ethoxyphenyl)-2-phenoxypropanoic acid?
The IUPAC name of (2R)-3-(4-ethoxyphenyl)-2-phenoxypropanoic acid (CID 100544078) is (2R)-3-(4-ethoxyphenyl)-2-phenoxypropanoic acid.
What is the SMILES notation for (2R)-3-(4-ethoxyphenyl)-2-phenoxypropanoic acid?
The canonical SMILES for (2R)-3-(4-ethoxyphenyl)-2-phenoxypropanoic acid is CCOc1ccc(C[C@@H](Oc2ccccc2)C(=O)O)cc1.
What is the InChIKey of (2R)-3-(4-ethoxyphenyl)-2-phenoxypropanoic acid?
The InChIKey is NHHCXCFZVDVYKS-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18O4/c1-2-20-14-10-8-13(9-11-14)12-16(17(18)19)21-15-6-4-3-5-7-15/h3-11,16H,2,12H2,1H3,(H,18,19)/t16-/m1/s1.
What are the key properties of (2R)-3-(4-ethoxyphenyl)-2-phenoxypropanoic acid?
(2R)-3-(4-ethoxyphenyl)-2-phenoxypropanoic acid has a molecular weight of 286.33 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-ethoxyphenyl)-2-phenoxypropanoic acid is sourced from PubChem (CID 100544078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).