2-(2-phenylmethoxyethoxy)ethoxymethanol

C12H18O4 — CID 57257914

IUPAC2-(2-phenylmethoxyethoxy)ethoxymethanol
SMILESOCOCCOCCOCc1ccccc1
InChIInChI=1S/C12H18O4/c13-11-16-9-7-14-6-8-15-10-12-4-2-1-3-5-12/h1-5,13H,6-11H2
InChIKeyATWSQABRNDWSFP-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.19
Rot. Bonds9

About 2-(2-phenylmethoxyethoxy)ethoxymethanol

2-(2-phenylmethoxyethoxy)ethoxymethanol (PubChem CID 57257914) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 2-(2-phenylmethoxyethoxy)ethoxymethanol.

Molecular Properties

Compound Name2-(2-phenylmethoxyethoxy)ethoxymethanol
PubChem CID57257914
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name2-(2-phenylmethoxyethoxy)ethoxymethanol
SMILESOCOCCOCCOCc1ccccc1
InChIInChI=1S/C12H18O4/c13-11-16-9-7-14-6-8-15-10-12-4-2-1-3-5-12/h1-5,13H,6-11H2
InChIKeyATWSQABRNDWSFP-UHFFFAOYSA-N
XLogP1.19
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[2-[2-(6-phenylmethoxyhexoxy)ethoxy]ethoxy]butan-1-ol
CID 164592846
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
2-(2-methoxyethoxy)ethanol;2-phenylmethoxyethanol
CID 138692115
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 153014245
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
(1S)-1-deuterio-2-phenylmethoxyethanol
CID 136712283
3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid
CID 14462373
3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid
CID 14462372
5-(5-phenylmethoxypentoxy)pentan-1-ol
CID 155584786
5-(2-phenylmethoxyethoxy)pentane-1,3-diol
CID 66870835
2-(2,2,2-trifluoroethoxy)ethoxymethylbenzene
CID 14221122
2-[2-[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[2-(2-phenylmethoxyethoxy)ethoxy]cyclohexyl]oxyethoxy]ethoxymethylbenzene
CID 10941970

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylmethoxyethoxy)ethoxymethanol?
The IUPAC name of 2-(2-phenylmethoxyethoxy)ethoxymethanol (CID 57257914) is 2-(2-phenylmethoxyethoxy)ethoxymethanol.
What is the SMILES notation for 2-(2-phenylmethoxyethoxy)ethoxymethanol?
The canonical SMILES for 2-(2-phenylmethoxyethoxy)ethoxymethanol is OCOCCOCCOCc1ccccc1.
What is the InChIKey of 2-(2-phenylmethoxyethoxy)ethoxymethanol?
The InChIKey is ATWSQABRNDWSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c13-11-16-9-7-14-6-8-15-10-12-4-2-1-3-5-12/h1-5,13H,6-11H2.
What are the key properties of 2-(2-phenylmethoxyethoxy)ethoxymethanol?
2-(2-phenylmethoxyethoxy)ethoxymethanol has a molecular weight of 226.27 g/mol, XLogP of 1.19, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylmethoxyethoxy)ethoxymethanol is sourced from PubChem (CID 57257914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).