(2S)-2-[(1R)-1-(4-hydroxyphenyl)ethoxy]propanoic acid

C11H14O4 — CID 67533355

IUPAC(2S)-2-[(1R)-1-(4-hydroxyphenyl)ethoxy]propanoic acid
SMILESC[C@H](O[C@H](C)c1ccc(O)cc1)C(=O)O
InChIInChI=1S/C11H14O4/c1-7(15-8(2)11(13)14)9-3-5-10(12)6-4-9/h3-8,12H,1-2H3,(H,13,14)/t7-,8+/m1/s1
InChIKeyMZTSORFIIOZMJJ-SFYZADRCSA-N
MW210.23 g/mol
LogP1.94
Rot. Bonds4

About (2S)-2-[(1R)-1-(4-hydroxyphenyl)ethoxy]propanoic acid

(2S)-2-[(1R)-1-(4-hydroxyphenyl)ethoxy]propanoic acid (PubChem CID 67533355) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is (2S)-2-[(1R)-1-(4-hydroxyphenyl)ethoxy]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(1R)-1-(4-hydroxyphenyl)ethoxy]propanoic acid
PubChem CID67533355
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name(2S)-2-[(1R)-1-(4-hydroxyphenyl)ethoxy]propanoic acid
SMILESC[C@H](O[C@H](C)c1ccc(O)cc1)C(=O)O
InChIInChI=1S/C11H14O4/c1-7(15-8(2)11(13)14)9-3-5-10(12)6-4-9/h3-8,12H,1-2H3,(H,13,14)/t7-,8+/m1/s1
InChIKeyMZTSORFIIOZMJJ-SFYZADRCSA-N
XLogP1.94
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxyphenyl)ethyl 2-oxopropanoate
CID 139681074
2-aminooxy-2-(4-hydroxyphenyl)acetic acid
CID 105440395
2-(4-hydroxyphenyl)-3-methylpentanoic acid
CID 83820428
2-ethoxy-2-(4-hydroxyphenyl)acetic acid
CID 70349017
4-(1-ethoxyethyl)phenol
CID 15774870
1-(4-hydroxyphenyl)ethyl methanesulfonate;trihydrate
CID 140988760
CID 70480259
CID 70480259
(2R)-2-(4-hydroxyphenyl)-2-iodoacetic acid
CID 155461000
(2R)-2-(dimethylamino)-2-(4-hydroxyphenyl)acetic acid
CID 93297353
phosphanyl 2-(4-hydroxyphenyl)propanoate
CID 121404304
[(1R)-1-(4-hydroxyphenyl)ethyl]carbamic acid
CID 69395015
[(1S)-1-(4-hydroxyphenyl)ethyl]carbamic acid
CID 69394441

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1R)-1-(4-hydroxyphenyl)ethoxy]propanoic acid?
The IUPAC name of (2S)-2-[(1R)-1-(4-hydroxyphenyl)ethoxy]propanoic acid (CID 67533355) is (2S)-2-[(1R)-1-(4-hydroxyphenyl)ethoxy]propanoic acid.
What is the SMILES notation for (2S)-2-[(1R)-1-(4-hydroxyphenyl)ethoxy]propanoic acid?
The canonical SMILES for (2S)-2-[(1R)-1-(4-hydroxyphenyl)ethoxy]propanoic acid is C[C@H](O[C@H](C)c1ccc(O)cc1)C(=O)O.
What is the InChIKey of (2S)-2-[(1R)-1-(4-hydroxyphenyl)ethoxy]propanoic acid?
The InChIKey is MZTSORFIIOZMJJ-SFYZADRCSA-N. The full InChI is InChI=1S/C11H14O4/c1-7(15-8(2)11(13)14)9-3-5-10(12)6-4-9/h3-8,12H,1-2H3,(H,13,14)/t7-,8+/m1/s1.
What are the key properties of (2S)-2-[(1R)-1-(4-hydroxyphenyl)ethoxy]propanoic acid?
(2S)-2-[(1R)-1-(4-hydroxyphenyl)ethoxy]propanoic acid has a molecular weight of 210.23 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1R)-1-(4-hydroxyphenyl)ethoxy]propanoic acid is sourced from PubChem (CID 67533355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).