2-[2-[2-[2-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethoxy]oxane

C31H38O5 — CID 23147268

IUPAC2-[2-[2-[2-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethoxy]oxane
SMILESCCc1c(CCOCCOC2CCCCO2)cc(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C31H38O5/c1-2-29-27(16-18-32-19-20-34-31-15-9-10-17-33-31)21-28(35-23-25-11-5-3-6-12-25)22-30(29)36-24-26-13-7-4-8-14-26/h3-8,11-14,21-22,31H,2,9-10,15-20,23-24H2,1H3
InChIKeyQADMNZZLBWNKPM-UHFFFAOYSA-N
MW490.64 g/mol
LogP6.51
Rot. Bonds14

About 2-[2-[2-[2-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethoxy]oxane

2-[2-[2-[2-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethoxy]oxane (PubChem CID 23147268) has the molecular formula C31H38O5 and a molecular weight of 490.64 g/mol. Its IUPAC name is 2-[2-[2-[2-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethoxy]oxane.

Molecular Properties

Compound Name2-[2-[2-[2-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethoxy]oxane
PubChem CID23147268
Molecular FormulaC31H38O5
Molecular Weight490.64 g/mol
Exact Mass490.27
IUPAC Name2-[2-[2-[2-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethoxy]oxane
SMILESCCc1c(CCOCCOC2CCCCO2)cc(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C31H38O5/c1-2-29-27(16-18-32-19-20-34-31-15-9-10-17-33-31)21-28(35-23-25-11-5-3-6-12-25)22-30(29)36-24-26-13-7-4-8-14-26/h3-8,11-14,21-22,31H,2,9-10,15-20,23-24H2,1H3
InChIKeyQADMNZZLBWNKPM-UHFFFAOYSA-N
XLogP6.51
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.64
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]oxane
CID 168915283
2-[2-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethoxy]ethoxy]oxane
CID 23147278
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-[2-[(3S)-3-phenylmethoxybutoxy]ethoxy]oxane
CID 165127390
2-[2-(2-phenoxyethoxy)ethoxy]oxane
CID 68537956
2-(2-phenoxyethoxy)oxane
CID 11736193
2-[3-methoxy-3-(3-phenylmethoxyphenyl)butoxy]oxane
CID 54240973
2-(4-phenylmethoxyphenoxy)oxane
CID 11076959
2-[2-(1-phenylmethoxypropan-2-yloxy)ethoxy]oxane
CID 174202600
[3-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]methanol
CID 59552355
2-[(3S)-3-methyl-8-phenylmethoxyoctoxy]oxane
CID 11977298

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethoxy]oxane?
The IUPAC name of 2-[2-[2-[2-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethoxy]oxane (CID 23147268) is 2-[2-[2-[2-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethoxy]oxane.
What is the SMILES notation for 2-[2-[2-[2-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethoxy]oxane?
The canonical SMILES for 2-[2-[2-[2-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethoxy]oxane is CCc1c(CCOCCOC2CCCCO2)cc(OCc2ccccc2)cc1OCc1ccccc1.
What is the InChIKey of 2-[2-[2-[2-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethoxy]oxane?
The InChIKey is QADMNZZLBWNKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38O5/c1-2-29-27(16-18-32-19-20-34-31-15-9-10-17-33-31)21-28(35-23-25-11-5-3-6-12-25)22-30(29)36-24-26-13-7-4-8-14-26/h3-8,11-14,21-22,31H,2,9-10,15-20,23-24H2,1H3.
What are the key properties of 2-[2-[2-[2-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethoxy]oxane?
2-[2-[2-[2-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethoxy]oxane has a molecular weight of 490.64 g/mol, XLogP of 6.51, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethoxy]oxane is sourced from PubChem (CID 23147268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).