(2S)-2-(4-methoxyphenoxy)butanoate

C11H13O4- — CID 7269180

IUPAC(2S)-2-(4-methoxyphenoxy)butanoate
SMILESCC[C@H](Oc1ccc(OC)cc1)C(=O)[O-]
InChIInChI=1S/C11H14O4/c1-3-10(11(12)13)15-9-6-4-8(14-2)5-7-9/h4-7,10H,3H2,1-2H3,(H,12,13)/p-1/t10-/m0/s1
InChIKeyAQYSEMOXZAZTII-JTQLQIEISA-M
MW209.22 g/mol
LogP0.60
Rot. Bonds5

About (2S)-2-(4-methoxyphenoxy)butanoate

(2S)-2-(4-methoxyphenoxy)butanoate (PubChem CID 7269180) has the molecular formula C11H13O4- and a molecular weight of 209.22 g/mol. Its IUPAC name is (2S)-2-(4-methoxyphenoxy)butanoate.

Molecular Properties

Compound Name(2S)-2-(4-methoxyphenoxy)butanoate
PubChem CID7269180
Molecular FormulaC11H13O4-
Molecular Weight209.22 g/mol
Exact Mass209.08
IUPAC Name(2S)-2-(4-methoxyphenoxy)butanoate
SMILESCC[C@H](Oc1ccc(OC)cc1)C(=O)[O-]
InChIInChI=1S/C11H14O4/c1-3-10(11(12)13)15-9-6-4-8(14-2)5-7-9/h4-7,10H,3H2,1-2H3,(H,12,13)/p-1/t10-/m0/s1
InChIKeyAQYSEMOXZAZTII-JTQLQIEISA-M
XLogP0.60
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(3-methoxyphenoxy)butanoate
CID 7022552
(2S)-2-(4-fluorophenoxy)butanoate
CID 7269182
(2S)-2-(4-nitrophenoxy)butanoate
CID 7858570
4-(2-butoxyethoxy)-2-(4-methoxyphenoxy)butanoate
CID 57360215
(2R)-N-ethyl-2-(4-methoxyphenoxy)butanamide
CID 124561354
2-(3,5-dihydroxyphenoxy)butanoate
CID 18940228
(2S)-N-(2,4-dimethylpentan-3-yl)-2-(4-methoxyphenoxy)butanamide
CID 124561337
2-(4-methoxyphenoxy)-N-(3-methylbutyl)butanamide
CID 21367307
(2S)-N'-hydroxy-2-(4-methoxyphenoxy)butanimidamide
CID 123956670
2-(4-methoxyphenoxy)-N-(2,4,4-trimethylpentan-2-yl)butanamide
CID 133164242
(2R)-2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 42082581
(2R)-N-(4-ethoxyphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082583

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxyphenoxy)butanoate?
The IUPAC name of (2S)-2-(4-methoxyphenoxy)butanoate (CID 7269180) is (2S)-2-(4-methoxyphenoxy)butanoate.
What is the SMILES notation for (2S)-2-(4-methoxyphenoxy)butanoate?
The canonical SMILES for (2S)-2-(4-methoxyphenoxy)butanoate is CC[C@H](Oc1ccc(OC)cc1)C(=O)[O-].
What is the InChIKey of (2S)-2-(4-methoxyphenoxy)butanoate?
The InChIKey is AQYSEMOXZAZTII-JTQLQIEISA-M. The full InChI is InChI=1S/C11H14O4/c1-3-10(11(12)13)15-9-6-4-8(14-2)5-7-9/h4-7,10H,3H2,1-2H3,(H,12,13)/p-1/t10-/m0/s1.
What are the key properties of (2S)-2-(4-methoxyphenoxy)butanoate?
(2S)-2-(4-methoxyphenoxy)butanoate has a molecular weight of 209.22 g/mol, XLogP of 0.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methoxyphenoxy)butanoate is sourced from PubChem (CID 7269180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).