3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid

C14H20O5 — CID 14462372

IUPAC3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid
SMILESO=C(O)CCOCCOCCOCc1ccccc1
InChIInChI=1S/C14H20O5/c15-14(16)6-7-17-8-9-18-10-11-19-12-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,15,16)
InChIKeyQCNCDLBZNNIXAQ-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.71
Rot. Bonds11

About 3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid

3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid (PubChem CID 14462372) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is 3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid.

Molecular Properties

Compound Name3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid
PubChem CID14462372
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Name3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid
SMILESO=C(O)CCOCCOCCOCc1ccccc1
InChIInChI=1S/C14H20O5/c15-14(16)6-7-17-8-9-18-10-11-19-12-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,15,16)
InChIKeyQCNCDLBZNNIXAQ-UHFFFAOYSA-N
XLogP1.71
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.71
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

3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid
CID 14462373
4-(2-phenylmethoxyethoxy)butanoic acid
CID 155072083
2,2-bis(hydroxymethyl)propane-1,3-diol;tetrakis(3-phenylmethoxypropanoic acid)
CID 174146659
3-(3-phenylmethoxypropanoylamino)propanoic acid
CID 75417899
1-phenyl-4-phenylmethoxybutan-2-one
CID 134894703
4-[2-(3-oxo-3-phenylmethoxypropoxy)ethoxy]butanoic acid
CID 146657056
N-hydroxy-3-phenylmethoxypropanamide
CID 59082883
1-phenylmethoxyhexane-3,4-dione
CID 561127
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
2-(2-phenylmethoxyethoxy)ethoxymethanol
CID 57257914
4-hydroxy-6-phenylmethoxyhexanoic acid
CID 130913832
5-(3-phenylmethoxypropanoylamino)pentanoic acid
CID 119234260

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid?
The IUPAC name of 3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid (CID 14462372) is 3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid.
What is the SMILES notation for 3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid?
The canonical SMILES for 3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid is O=C(O)CCOCCOCCOCc1ccccc1.
What is the InChIKey of 3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid?
The InChIKey is QCNCDLBZNNIXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5/c15-14(16)6-7-17-8-9-18-10-11-19-12-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,15,16).
What are the key properties of 3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid?
3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid has a molecular weight of 268.31 g/mol, XLogP of 1.71, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid is sourced from PubChem (CID 14462372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).