2-hydroxy-3-[4-(2-methoxyethoxy)phenoxy]propanoic acid

C12H16O6 — CID 102149815

IUPAC2-hydroxy-3-[4-(2-methoxyethoxy)phenoxy]propanoic acid
SMILESCOCCOc1ccc(OCC(O)C(=O)O)cc1
InChIInChI=1S/C12H16O6/c1-16-6-7-17-9-2-4-10(5-3-9)18-8-11(13)12(14)15/h2-5,11,13H,6-8H2,1H3,(H,14,15)
InChIKeyRZUUAQXLYLMPHV-UHFFFAOYSA-N
MW256.25 g/mol
LogP0.54
Rot. Bonds8

About 2-hydroxy-3-[4-(2-methoxyethoxy)phenoxy]propanoic acid

2-hydroxy-3-[4-(2-methoxyethoxy)phenoxy]propanoic acid (PubChem CID 102149815) has the molecular formula C12H16O6 and a molecular weight of 256.25 g/mol. Its IUPAC name is 2-hydroxy-3-[4-(2-methoxyethoxy)phenoxy]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[4-(2-methoxyethoxy)phenoxy]propanoic acid
PubChem CID102149815
Molecular FormulaC12H16O6
Molecular Weight256.25 g/mol
Exact Mass256.09
IUPAC Name2-hydroxy-3-[4-(2-methoxyethoxy)phenoxy]propanoic acid
SMILESCOCCOc1ccc(OCC(O)C(=O)O)cc1
InChIInChI=1S/C12H16O6/c1-16-6-7-17-9-2-4-10(5-3-9)18-8-11(13)12(14)15/h2-5,11,13H,6-8H2,1H3,(H,14,15)
InChIKeyRZUUAQXLYLMPHV-UHFFFAOYSA-N
XLogP0.54
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-3-phenoxypropanoic acid
CID 67592895
3-(4-aminophenoxy)-2-hydroxypropanoic acid
CID 166746246
2-[4-(2-methoxyethoxy)phenyl]propanoic acid
CID 112512140
2-chloro-2-[4-(2-methoxyethoxy)phenyl]acetic acid
CID 112512422
2-amino-2-[4-(2-methoxyethoxy)phenyl]acetic acid
CID 77128718
1,3-bis[4-[2-[4-(2-methoxyethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 20661045
methyl 2-hydroxy-2-[4-(2-methoxyethoxy)phenyl]acetate
CID 117353011
2-hydroxy-3-(3-methoxyphenoxy)propanoic acid
CID 105465737
2-hydroxy-5-(4-methylphenoxy)pentanoic acid
CID 69033071
(2R)-2-hydroxy-3-(4-nitrophenoxy)propanoic acid
CID 166746299
3-[4-(2-methoxyethyl)phenoxy]-2-methylpropanoic acid
CID 43538057
benzoic acid;bis(4-(2-methoxyethoxy)benzoic acid)
CID 91308161

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[4-(2-methoxyethoxy)phenoxy]propanoic acid?
The IUPAC name of 2-hydroxy-3-[4-(2-methoxyethoxy)phenoxy]propanoic acid (CID 102149815) is 2-hydroxy-3-[4-(2-methoxyethoxy)phenoxy]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[4-(2-methoxyethoxy)phenoxy]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[4-(2-methoxyethoxy)phenoxy]propanoic acid is COCCOc1ccc(OCC(O)C(=O)O)cc1.
What is the InChIKey of 2-hydroxy-3-[4-(2-methoxyethoxy)phenoxy]propanoic acid?
The InChIKey is RZUUAQXLYLMPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O6/c1-16-6-7-17-9-2-4-10(5-3-9)18-8-11(13)12(14)15/h2-5,11,13H,6-8H2,1H3,(H,14,15).
What are the key properties of 2-hydroxy-3-[4-(2-methoxyethoxy)phenoxy]propanoic acid?
2-hydroxy-3-[4-(2-methoxyethoxy)phenoxy]propanoic acid has a molecular weight of 256.25 g/mol, XLogP of 0.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[4-(2-methoxyethoxy)phenoxy]propanoic acid is sourced from PubChem (CID 102149815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).