2-[2-(1-phenylmethoxypropan-2-yloxy)ethoxy]oxane

C17H26O4 — CID 174202600

IUPAC2-[2-(1-phenylmethoxypropan-2-yloxy)ethoxy]oxane
SMILESCC(COCc1ccccc1)OCCOC1CCCCO1
InChIInChI=1S/C17H26O4/c1-15(13-18-14-16-7-3-2-4-8-16)19-11-12-21-17-9-5-6-10-20-17/h2-4,7-8,15,17H,5-6,9-14H2,1H3
InChIKeyQFNWHOFHGLDWOC-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.15
Rot. Bonds9

About 2-[2-(1-phenylmethoxypropan-2-yloxy)ethoxy]oxane

2-[2-(1-phenylmethoxypropan-2-yloxy)ethoxy]oxane (PubChem CID 174202600) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-[2-(1-phenylmethoxypropan-2-yloxy)ethoxy]oxane.

Molecular Properties

Compound Name2-[2-(1-phenylmethoxypropan-2-yloxy)ethoxy]oxane
PubChem CID174202600
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name2-[2-(1-phenylmethoxypropan-2-yloxy)ethoxy]oxane
SMILESCC(COCc1ccccc1)OCCOC1CCCCO1
InChIInChI=1S/C17H26O4/c1-15(13-18-14-16-7-3-2-4-8-16)19-11-12-21-17-9-5-6-10-20-17/h2-4,7-8,15,17H,5-6,9-14H2,1H3
InChIKeyQFNWHOFHGLDWOC-UHFFFAOYSA-N
XLogP3.15
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(3S)-3-phenylmethoxybutoxy]ethoxy]oxane
CID 165127390
2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane
CID 165126969
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
CID 162640826
2-[1-(3-phenylmethoxybutoxy)propan-2-yloxy]oxane
CID 174209322
2-[(3S)-3-methyl-8-phenylmethoxyoctoxy]oxane
CID 11977298
5-[(2R)-oxan-2-yl]oxy-1-phenylmethoxypentan-2-ol
CID 67866640
2-[(2R)-3,3,3-trifluoro-2-(phenylmethoxymethyl)propoxy]oxane
CID 10495766
2-[(2R)-3-hexadecoxy-2-phenylmethoxypropoxy]oxane
CID 10323317
2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]oxane
CID 168915283
2-[(5S,6S)-5-azido-6-phenylmethoxyoctoxy]oxane
CID 52916436
(2R)-2-[[(2R)-1-phenylmethoxypropan-2-yl]oxymethyl]oxirane
CID 90410381
benzyl (2S)-2-amino-4-(oxan-2-yloxy)butanoate
CID 70956918

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-phenylmethoxypropan-2-yloxy)ethoxy]oxane?
The IUPAC name of 2-[2-(1-phenylmethoxypropan-2-yloxy)ethoxy]oxane (CID 174202600) is 2-[2-(1-phenylmethoxypropan-2-yloxy)ethoxy]oxane.
What is the SMILES notation for 2-[2-(1-phenylmethoxypropan-2-yloxy)ethoxy]oxane?
The canonical SMILES for 2-[2-(1-phenylmethoxypropan-2-yloxy)ethoxy]oxane is CC(COCc1ccccc1)OCCOC1CCCCO1.
What is the InChIKey of 2-[2-(1-phenylmethoxypropan-2-yloxy)ethoxy]oxane?
The InChIKey is QFNWHOFHGLDWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c1-15(13-18-14-16-7-3-2-4-8-16)19-11-12-21-17-9-5-6-10-20-17/h2-4,7-8,15,17H,5-6,9-14H2,1H3.
What are the key properties of 2-[2-(1-phenylmethoxypropan-2-yloxy)ethoxy]oxane?
2-[2-(1-phenylmethoxypropan-2-yloxy)ethoxy]oxane has a molecular weight of 294.39 g/mol, XLogP of 3.15, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-phenylmethoxypropan-2-yloxy)ethoxy]oxane is sourced from PubChem (CID 174202600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).