(2S)-3-(4-ethylphenyl)-2-(2-methoxyphenoxy)propanoic acid

C18H20O4 — CID 100530459

IUPAC(2S)-3-(4-ethylphenyl)-2-(2-methoxyphenoxy)propanoic acid
SMILESCCc1ccc(C[C@H](Oc2ccccc2OC)C(=O)O)cc1
InChIInChI=1S/C18H20O4/c1-3-13-8-10-14(11-9-13)12-17(18(19)20)22-16-7-5-4-6-15(16)21-2/h4-11,17H,3,12H2,1-2H3,(H,19,20)/t17-/m0/s1
InChIKeyNUFCYQOOSDVZGZ-KRWDZBQOSA-N
MW300.35 g/mol
LogP3.33
Rot. Bonds7

About (2S)-3-(4-ethylphenyl)-2-(2-methoxyphenoxy)propanoic acid

(2S)-3-(4-ethylphenyl)-2-(2-methoxyphenoxy)propanoic acid (PubChem CID 100530459) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is (2S)-3-(4-ethylphenyl)-2-(2-methoxyphenoxy)propanoic acid.

Molecular Properties

Compound Name(2S)-3-(4-ethylphenyl)-2-(2-methoxyphenoxy)propanoic acid
PubChem CID100530459
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name(2S)-3-(4-ethylphenyl)-2-(2-methoxyphenoxy)propanoic acid
SMILESCCc1ccc(C[C@H](Oc2ccccc2OC)C(=O)O)cc1
InChIInChI=1S/C18H20O4/c1-3-13-8-10-14(11-9-13)12-17(18(19)20)22-16-7-5-4-6-15(16)21-2/h4-11,17H,3,12H2,1-2H3,(H,19,20)/t17-/m0/s1
InChIKeyNUFCYQOOSDVZGZ-KRWDZBQOSA-N
XLogP3.33
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenoxy)-3-(4-phenoxyphenyl)propanoic acid
CID 133241102
(2R)-3-(4-ethylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid
CID 100530432
2-(2-methoxyphenoxy)-3-(2-methoxyphenyl)propanoic acid
CID 133240977
3-methoxy-2-(2-methoxyphenoxy)propanoic acid
CID 103223945
(2R)-3-(4-ethylphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 100530411
(2R)-3-(4-ethylphenyl)-2-naphthalen-2-yloxypropanoic acid
CID 100530574
(2R)-2-(2-methoxyphenoxy)-3-(2-phenoxyphenyl)propanoic acid
CID 100551442
2-(2-methoxyphenoxy)-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 133245690
(2R)-2-(2-methylphenoxy)-3-(4-methylphenyl)propanoic acid
CID 100525412
2-(2-methoxyphenoxy)-3-(2,4,6-trimethylphenyl)propanoic acid
CID 133241387
3-(3-chloro-4-methoxyphenyl)-2-(2-chlorophenoxy)propanoic acid
CID 133241239
(2R)-3-(4-methoxyphenyl)-2-phenoxypropanoic acid
CID 100542931

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-ethylphenyl)-2-(2-methoxyphenoxy)propanoic acid?
The IUPAC name of (2S)-3-(4-ethylphenyl)-2-(2-methoxyphenoxy)propanoic acid (CID 100530459) is (2S)-3-(4-ethylphenyl)-2-(2-methoxyphenoxy)propanoic acid.
What is the SMILES notation for (2S)-3-(4-ethylphenyl)-2-(2-methoxyphenoxy)propanoic acid?
The canonical SMILES for (2S)-3-(4-ethylphenyl)-2-(2-methoxyphenoxy)propanoic acid is CCc1ccc(C[C@H](Oc2ccccc2OC)C(=O)O)cc1.
What is the InChIKey of (2S)-3-(4-ethylphenyl)-2-(2-methoxyphenoxy)propanoic acid?
The InChIKey is NUFCYQOOSDVZGZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20O4/c1-3-13-8-10-14(11-9-13)12-17(18(19)20)22-16-7-5-4-6-15(16)21-2/h4-11,17H,3,12H2,1-2H3,(H,19,20)/t17-/m0/s1.
What are the key properties of (2S)-3-(4-ethylphenyl)-2-(2-methoxyphenoxy)propanoic acid?
(2S)-3-(4-ethylphenyl)-2-(2-methoxyphenoxy)propanoic acid has a molecular weight of 300.35 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-ethylphenyl)-2-(2-methoxyphenoxy)propanoic acid is sourced from PubChem (CID 100530459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).