[3-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]methanol

C18H28O6 — CID 59552355

IUPAC[3-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]methanol
SMILESOCc1cccc(OCCOCCOCCOC2CCCCO2)c1
InChIInChI=1S/C18H28O6/c19-15-16-4-3-5-17(14-16)22-12-10-20-8-9-21-11-13-24-18-6-1-2-7-23-18/h3-5,14,18-19H,1-2,6-13,15H2
InChIKeyWIAQFVUDDQOAGW-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.13
Rot. Bonds12

About [3-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]methanol

[3-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]methanol (PubChem CID 59552355) has the molecular formula C18H28O6 and a molecular weight of 340.42 g/mol. Its IUPAC name is [3-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]methanol
PubChem CID59552355
Molecular FormulaC18H28O6
Molecular Weight340.42 g/mol
Exact Mass340.19
IUPAC Name[3-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]methanol
SMILESOCc1cccc(OCCOCCOCCOC2CCCCO2)c1
InChIInChI=1S/C18H28O6/c19-15-16-4-3-5-17(14-16)22-12-10-20-8-9-21-11-13-24-18-6-1-2-7-23-18/h3-5,14,18-19H,1-2,6-13,15H2
InChIKeyWIAQFVUDDQOAGW-UHFFFAOYSA-N
XLogP2.13
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-phenoxyethoxy)ethoxy]oxane
CID 68537956
2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]oxane
CID 168915283
2-(2-phenoxyethoxy)oxane
CID 11736193
2-[4-(3-bromophenoxy)butoxy]oxane
CID 59476029
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
[4-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]-phenylmethanone
CID 165391674
1-[3-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]ethanone
CID 122582585
2-[2-[2-[2-[2-[(2S)-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 124522873
2-[2-[2-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 119058274
[3-(2-butoxyethoxy)phenyl]methanol
CID 61483192
[4-[2-[(2S)-oxan-2-yl]oxyethyl]phenyl]methanol
CID 129389896

Frequently Asked Questions

What is the IUPAC name of [3-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]methanol?
The IUPAC name of [3-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]methanol (CID 59552355) is [3-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]methanol.
What is the SMILES notation for [3-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]methanol?
The canonical SMILES for [3-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]methanol is OCc1cccc(OCCOCCOCCOC2CCCCO2)c1.
What is the InChIKey of [3-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]methanol?
The InChIKey is WIAQFVUDDQOAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O6/c19-15-16-4-3-5-17(14-16)22-12-10-20-8-9-21-11-13-24-18-6-1-2-7-23-18/h3-5,14,18-19H,1-2,6-13,15H2.
What are the key properties of [3-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]methanol?
[3-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]methanol has a molecular weight of 340.42 g/mol, XLogP of 2.13, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]methanol is sourced from PubChem (CID 59552355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).