(2S)-3-(2-ethylphenyl)-2-(2-methylphenoxy)propanoic acid

C18H20O3 — CID 100529624

IUPAC(2S)-3-(2-ethylphenyl)-2-(2-methylphenoxy)propanoic acid
SMILESCCc1ccccc1C[C@H](Oc1ccccc1C)C(=O)O
InChIInChI=1S/C18H20O3/c1-3-14-9-5-6-10-15(14)12-17(18(19)20)21-16-11-7-4-8-13(16)2/h4-11,17H,3,12H2,1-2H3,(H,19,20)/t17-/m0/s1
InChIKeyZNALXFUXRBUSNH-KRWDZBQOSA-N
MW284.36 g/mol
LogP3.63
Rot. Bonds6

About (2S)-3-(2-ethylphenyl)-2-(2-methylphenoxy)propanoic acid

(2S)-3-(2-ethylphenyl)-2-(2-methylphenoxy)propanoic acid (PubChem CID 100529624) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is (2S)-3-(2-ethylphenyl)-2-(2-methylphenoxy)propanoic acid.

Molecular Properties

Compound Name(2S)-3-(2-ethylphenyl)-2-(2-methylphenoxy)propanoic acid
PubChem CID100529624
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name(2S)-3-(2-ethylphenyl)-2-(2-methylphenoxy)propanoic acid
SMILESCCc1ccccc1C[C@H](Oc1ccccc1C)C(=O)O
InChIInChI=1S/C18H20O3/c1-3-14-9-5-6-10-15(14)12-17(18(19)20)21-16-11-7-4-8-13(16)2/h4-11,17H,3,12H2,1-2H3,(H,19,20)/t17-/m0/s1
InChIKeyZNALXFUXRBUSNH-KRWDZBQOSA-N
XLogP3.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenyl)-2-(2-methylphenoxy)propanoic acid
CID 133245331
(2R)-3-(2-fluorophenyl)-2-(2-methylphenoxy)propanoic acid
CID 100531990
(2S)-3-(2-chlorophenyl)-2-(2-methylphenoxy)propanoic acid
CID 100533098
(2R)-3-(2,4-dimethylphenyl)-2-(2-methylphenoxy)propanoic acid
CID 100526538
3-(2,3-dichlorophenyl)-2-(2-methylphenoxy)propanoic acid
CID 133245576
ethane;(2R)-2-(2-methylphenoxy)butanoic acid
CID 143919968
(2R)-2-(2-methylphenoxy)-3-(4-methylphenyl)propanoic acid
CID 100525412
3-(2,4-dimethoxyphenyl)-2-(2-methylphenoxy)propanoic acid
CID 133241119
(2R)-2-(4-tert-butylphenoxy)-3-(2-ethylphenyl)propanoic acid
CID 100529756
2-(2-methoxyphenoxy)-3-(2-methoxyphenyl)propanoic acid
CID 133240977
(2R)-2-(3-chlorophenoxy)-3-(2-ethylphenyl)propanoic acid
CID 100529696
3-(3-chloro-4-methylphenyl)-2-(2-methylphenoxy)propanoic acid
CID 133245535

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(2-ethylphenyl)-2-(2-methylphenoxy)propanoic acid?
The IUPAC name of (2S)-3-(2-ethylphenyl)-2-(2-methylphenoxy)propanoic acid (CID 100529624) is (2S)-3-(2-ethylphenyl)-2-(2-methylphenoxy)propanoic acid.
What is the SMILES notation for (2S)-3-(2-ethylphenyl)-2-(2-methylphenoxy)propanoic acid?
The canonical SMILES for (2S)-3-(2-ethylphenyl)-2-(2-methylphenoxy)propanoic acid is CCc1ccccc1C[C@H](Oc1ccccc1C)C(=O)O.
What is the InChIKey of (2S)-3-(2-ethylphenyl)-2-(2-methylphenoxy)propanoic acid?
The InChIKey is ZNALXFUXRBUSNH-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20O3/c1-3-14-9-5-6-10-15(14)12-17(18(19)20)21-16-11-7-4-8-13(16)2/h4-11,17H,3,12H2,1-2H3,(H,19,20)/t17-/m0/s1.
What are the key properties of (2S)-3-(2-ethylphenyl)-2-(2-methylphenoxy)propanoic acid?
(2S)-3-(2-ethylphenyl)-2-(2-methylphenoxy)propanoic acid has a molecular weight of 284.36 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(2-ethylphenyl)-2-(2-methylphenoxy)propanoic acid is sourced from PubChem (CID 100529624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).