2-(2-methoxyethoxymethoxy)-3-phenylpropan-1-ol

C13H20O4 — CID 11424981

IUPAC2-(2-methoxyethoxymethoxy)-3-phenylpropan-1-ol
SMILESCOCCOCOC(CO)Cc1ccccc1
InChIInChI=1S/C13H20O4/c1-15-7-8-16-11-17-13(10-14)9-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3
InChIKeyWGJJHMIHMMFXPD-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.23
Rot. Bonds9

About 2-(2-methoxyethoxymethoxy)-3-phenylpropan-1-ol

2-(2-methoxyethoxymethoxy)-3-phenylpropan-1-ol (PubChem CID 11424981) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-(2-methoxyethoxymethoxy)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(2-methoxyethoxymethoxy)-3-phenylpropan-1-ol
PubChem CID11424981
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name2-(2-methoxyethoxymethoxy)-3-phenylpropan-1-ol
SMILESCOCCOCOC(CO)Cc1ccccc1
InChIInChI=1S/C13H20O4/c1-15-7-8-16-11-17-13(10-14)9-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3
InChIKeyWGJJHMIHMMFXPD-UHFFFAOYSA-N
XLogP1.23
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.23
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

(2R)-2-methoxy-3-phenylpropan-1-ol
CID 12696531
(2S)-3-phenyl-2-phenylmethoxypropan-1-ol
CID 11831604
3-phenyl-2-propan-2-yloxypropan-1-ol
CID 174505154
2-(2-methoxyethoxy)-3-phenylpropanoic acid
CID 10176890
[(2S)-1-hydroxy-3-phenylpropan-2-yl] benzoate
CID 71568607
2-(2-methoxyethoxymethoxy)pent-4-en-1-ol
CID 74389573
3-methoxy-2-phenoxypropan-1-ol
CID 154118183
2-(2-methoxyethoxy)ethanol;2-phenylmethoxyethanol
CID 138692115
[(2S)-2-(methoxymethoxy)pent-4-enyl]benzene
CID 101457567
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
2-(2-methoxyethoxy)ethylbenzene
CID 21135488
2-[2-(2-methoxyethoxy)ethylamino]-3-phenylpropanoic acid
CID 67284187

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxymethoxy)-3-phenylpropan-1-ol?
The IUPAC name of 2-(2-methoxyethoxymethoxy)-3-phenylpropan-1-ol (CID 11424981) is 2-(2-methoxyethoxymethoxy)-3-phenylpropan-1-ol.
What is the SMILES notation for 2-(2-methoxyethoxymethoxy)-3-phenylpropan-1-ol?
The canonical SMILES for 2-(2-methoxyethoxymethoxy)-3-phenylpropan-1-ol is COCCOCOC(CO)Cc1ccccc1.
What is the InChIKey of 2-(2-methoxyethoxymethoxy)-3-phenylpropan-1-ol?
The InChIKey is WGJJHMIHMMFXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-15-7-8-16-11-17-13(10-14)9-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3.
What are the key properties of 2-(2-methoxyethoxymethoxy)-3-phenylpropan-1-ol?
2-(2-methoxyethoxymethoxy)-3-phenylpropan-1-ol has a molecular weight of 240.30 g/mol, XLogP of 1.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxymethoxy)-3-phenylpropan-1-ol is sourced from PubChem (CID 11424981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).