4-(2-phenylmethoxyethoxy)butanoic acid

C13H18O4 — CID 155072083

IUPAC4-(2-phenylmethoxyethoxy)butanoic acid
SMILESO=C(O)CCCOCCOCc1ccccc1
InChIInChI=1S/C13H18O4/c14-13(15)7-4-8-16-9-10-17-11-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2,(H,14,15)
InChIKeyFMROOMLNUQXRQZ-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.08
Rot. Bonds9

About 4-(2-phenylmethoxyethoxy)butanoic acid

4-(2-phenylmethoxyethoxy)butanoic acid (PubChem CID 155072083) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 4-(2-phenylmethoxyethoxy)butanoic acid.

Molecular Properties

Compound Name4-(2-phenylmethoxyethoxy)butanoic acid
PubChem CID155072083
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name4-(2-phenylmethoxyethoxy)butanoic acid
SMILESO=C(O)CCCOCCOCc1ccccc1
InChIInChI=1S/C13H18O4/c14-13(15)7-4-8-16-9-10-17-11-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2,(H,14,15)
InChIKeyFMROOMLNUQXRQZ-UHFFFAOYSA-N
XLogP2.08
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid
CID 14462372
4-[2-(3-oxo-3-phenylmethoxypropoxy)ethoxy]butanoic acid
CID 146657056
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
9-hydroxy-18-phenylmethoxyoctadecanoic acid
CID 101300567
2-oxo-5-phenylmethoxypentanal
CID 166844444
5-[(4-bromophenyl)methoxy]pentanoic acid
CID 82827863
chloro 4-phenylmethoxybutanoate
CID 143253301
8-[2-(7-carboxyheptoxy)-3-[2-[2-[2-(2-phenylmethoxyethylperoxy)ethylperoxy]ethylperoxy]ethoxy]propoxy]octanoic acid
CID 169059619
N-benzyl-4-phenylmethoxybutanamide
CID 15396752
5-(3-phenylmethoxypropanoylamino)pentanoic acid
CID 119234260
4-[2-[2-(6-phenylmethoxyhexoxy)ethoxy]ethoxy]butan-1-ol
CID 164592846

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylmethoxyethoxy)butanoic acid?
The IUPAC name of 4-(2-phenylmethoxyethoxy)butanoic acid (CID 155072083) is 4-(2-phenylmethoxyethoxy)butanoic acid.
What is the SMILES notation for 4-(2-phenylmethoxyethoxy)butanoic acid?
The canonical SMILES for 4-(2-phenylmethoxyethoxy)butanoic acid is O=C(O)CCCOCCOCc1ccccc1.
What is the InChIKey of 4-(2-phenylmethoxyethoxy)butanoic acid?
The InChIKey is FMROOMLNUQXRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c14-13(15)7-4-8-16-9-10-17-11-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2,(H,14,15).
What are the key properties of 4-(2-phenylmethoxyethoxy)butanoic acid?
4-(2-phenylmethoxyethoxy)butanoic acid has a molecular weight of 238.28 g/mol, XLogP of 2.08, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylmethoxyethoxy)butanoic acid is sourced from PubChem (CID 155072083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).