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

C16H24O6 — CID 14462373

IUPAC3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid
SMILESO=C(O)CCOCCOCCOCCOCc1ccccc1
InChIInChI=1S/C16H24O6/c17-16(18)6-7-19-8-9-20-10-11-21-12-13-22-14-15-4-2-1-3-5-15/h1-5H,6-14H2,(H,17,18)
InChIKeyFGLPTVPWFDQWFM-UHFFFAOYSA-N
MW312.36 g/mol
LogP1.73
Rot. Bonds14

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

3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid (PubChem CID 14462373) has the molecular formula C16H24O6 and a molecular weight of 312.36 g/mol. Its IUPAC name is 3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid.

Molecular Properties

Compound Name3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid
PubChem CID14462373
Molecular FormulaC16H24O6
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid
SMILESO=C(O)CCOCCOCCOCCOCc1ccccc1
InChIInChI=1S/C16H24O6/c17-16(18)6-7-19-8-9-20-10-11-21-12-13-22-14-15-4-2-1-3-5-15/h1-5H,6-14H2,(H,17,18)
InChIKeyFGLPTVPWFDQWFM-UHFFFAOYSA-N
XLogP1.73
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid
CID 14462372
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-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid?
The IUPAC name of 3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid (CID 14462373) is 3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid.
What is the SMILES notation for 3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid?
The canonical SMILES for 3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid is O=C(O)CCOCCOCCOCCOCc1ccccc1.
What is the InChIKey of 3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid?
The InChIKey is FGLPTVPWFDQWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O6/c17-16(18)6-7-19-8-9-20-10-11-21-12-13-22-14-15-4-2-1-3-5-15/h1-5H,6-14H2,(H,17,18).
What are the key properties of 3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid?
3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid has a molecular weight of 312.36 g/mol, XLogP of 1.73, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid is sourced from PubChem (CID 14462373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).