2-[2-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethoxy]ethoxy]oxane

C27H38O7 — CID 23147278

IUPAC2-[2-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethoxy]ethoxy]oxane
SMILESCCc1c(OCOC)cc(OCOC)c(-c2ccccc2)c1CCOCCOC1CCCCO1
InChIInChI=1S/C27H38O7/c1-4-22-23(13-15-30-16-17-32-26-12-8-9-14-31-26)27(21-10-6-5-7-11-21)25(34-20-29-3)18-24(22)33-19-28-2/h5-7,10-11,18,26H,4,8-9,12-17,19-20H2,1-3H3
InChIKeyFTGAQGURFCPPIR-UHFFFAOYSA-N
MW474.59 g/mol
LogP4.98
Rot. Bonds15

About 2-[2-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethoxy]ethoxy]oxane

2-[2-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethoxy]ethoxy]oxane (PubChem CID 23147278) has the molecular formula C27H38O7 and a molecular weight of 474.59 g/mol. Its IUPAC name is 2-[2-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethoxy]ethoxy]oxane.

Molecular Properties

Compound Name2-[2-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethoxy]ethoxy]oxane
PubChem CID23147278
Molecular FormulaC27H38O7
Molecular Weight474.59 g/mol
Exact Mass474.26
IUPAC Name2-[2-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethoxy]ethoxy]oxane
SMILESCCc1c(OCOC)cc(OCOC)c(-c2ccccc2)c1CCOCCOC1CCCCO1
InChIInChI=1S/C27H38O7/c1-4-22-23(13-15-30-16-17-32-26-12-8-9-14-31-26)27(21-10-6-5-7-11-21)25(34-20-29-3)18-24(22)33-19-28-2/h5-7,10-11,18,26H,4,8-9,12-17,19-20H2,1-3H3
InChIKeyFTGAQGURFCPPIR-UHFFFAOYSA-N
XLogP4.98
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

2-[2-[2-[2-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethoxy]oxane
CID 23147268
2-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethoxy]acetic acid
CID 23146920
2-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethoxy]acetamide
CID 23147052
3-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]propan-1-ol
CID 23147311
2-[2-(2-phenoxyethoxy)ethoxy]oxane
CID 68537956
2-[3-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]propoxy]-N-methylacetamide
CID 23147428
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-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane
CID 165126969
4-[3-[3-ethyl-2-[2-(2-methoxyethoxy)ethyl]-4,6-bis(methoxymethoxy)phenyl]phenyl]butan-2-ol
CID 23147308
2-(2-phenoxyethoxy)oxane
CID 11736193
2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]oxane
CID 168915283
3,3-dimethyl-1-[3-methyl-4,5-bis[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]phenyl]-1-phenylbutan-1-ol
CID 19844335

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethoxy]ethoxy]oxane?
The IUPAC name of 2-[2-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethoxy]ethoxy]oxane (CID 23147278) is 2-[2-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethoxy]ethoxy]oxane.
What is the SMILES notation for 2-[2-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethoxy]ethoxy]oxane?
The canonical SMILES for 2-[2-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethoxy]ethoxy]oxane is CCc1c(OCOC)cc(OCOC)c(-c2ccccc2)c1CCOCCOC1CCCCO1.
What is the InChIKey of 2-[2-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethoxy]ethoxy]oxane?
The InChIKey is FTGAQGURFCPPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38O7/c1-4-22-23(13-15-30-16-17-32-26-12-8-9-14-31-26)27(21-10-6-5-7-11-21)25(34-20-29-3)18-24(22)33-19-28-2/h5-7,10-11,18,26H,4,8-9,12-17,19-20H2,1-3H3.
What are the key properties of 2-[2-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethoxy]ethoxy]oxane?
2-[2-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethoxy]ethoxy]oxane has a molecular weight of 474.59 g/mol, XLogP of 4.98, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-ethyl-3,5-bis(methoxymethoxy)-6-phenylphenyl]ethoxy]ethoxy]oxane is sourced from PubChem (CID 23147278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).