2-methoxy-3-(2-phenylmethoxyethoxy)propanoic acid

C13H18O5 — CID 134423784

IUPAC2-methoxy-3-(2-phenylmethoxyethoxy)propanoic acid
SMILESCOC(COCCOCc1ccccc1)C(=O)O
InChIInChI=1S/C13H18O5/c1-16-12(13(14)15)10-18-8-7-17-9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,14,15)
InChIKeyQPRPOXMMPXBHMA-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.32
Rot. Bonds9

About 2-methoxy-3-(2-phenylmethoxyethoxy)propanoic acid

2-methoxy-3-(2-phenylmethoxyethoxy)propanoic acid (PubChem CID 134423784) has the molecular formula C13H18O5 and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-methoxy-3-(2-phenylmethoxyethoxy)propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-(2-phenylmethoxyethoxy)propanoic acid
PubChem CID134423784
Molecular FormulaC13H18O5
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name2-methoxy-3-(2-phenylmethoxyethoxy)propanoic acid
SMILESCOC(COCCOCc1ccccc1)C(=O)O
InChIInChI=1S/C13H18O5/c1-16-12(13(14)15)10-18-8-7-17-9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,14,15)
InChIKeyQPRPOXMMPXBHMA-UHFFFAOYSA-N
XLogP1.32
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-(2,2-dimethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 171766048
(2R)-2-methoxy-3-phenylpropanoic acid
CID 72942339
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
2-methoxy-3-[(2-phenylmethoxyacetyl)amino]propanoic acid
CID 106107823
3-phenylmethoxy-2-(trifluoromethylsulfonyloxy)propanoic acid
CID 174204150
3,3-dimethyl-2-(2-phenylmethoxyethoxy)butanoic acid
CID 67216614
benzyl N-[1-(2-phenylmethoxyethoxy)propan-2-yl]carbamate
CID 146517395
(2S)-2-hydroxy-4-phenylmethoxybutanoic acid
CID 15282429
1-phenylmethoxyhexane-3,4-dione
CID 561127
2-(2-methoxyethoxy)ethanol;2-phenylmethoxyethanol
CID 138692115
methyl (2S)-2-amino-3-phenylmethoxypropanoate;hydrochloride
CID 44630138
methyl (2R)-2-amino-3-phenylmethoxypropanoate;hydrochloride
CID 119088438

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(2-phenylmethoxyethoxy)propanoic acid?
The IUPAC name of 2-methoxy-3-(2-phenylmethoxyethoxy)propanoic acid (CID 134423784) is 2-methoxy-3-(2-phenylmethoxyethoxy)propanoic acid.
What is the SMILES notation for 2-methoxy-3-(2-phenylmethoxyethoxy)propanoic acid?
The canonical SMILES for 2-methoxy-3-(2-phenylmethoxyethoxy)propanoic acid is COC(COCCOCc1ccccc1)C(=O)O.
What is the InChIKey of 2-methoxy-3-(2-phenylmethoxyethoxy)propanoic acid?
The InChIKey is QPRPOXMMPXBHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O5/c1-16-12(13(14)15)10-18-8-7-17-9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,14,15).
What are the key properties of 2-methoxy-3-(2-phenylmethoxyethoxy)propanoic acid?
2-methoxy-3-(2-phenylmethoxyethoxy)propanoic acid has a molecular weight of 254.28 g/mol, XLogP of 1.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(2-phenylmethoxyethoxy)propanoic acid is sourced from PubChem (CID 134423784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).