1-(2-methylpropoxy)-2-[2-[2-[2-(2-methylpropoxy)phenyl]ethoxy]ethyl]benzene

C24H34O3 — CID 141096920

IUPAC1-(2-methylpropoxy)-2-[2-[2-[2-(2-methylpropoxy)phenyl]ethoxy]ethyl]benzene
SMILESCC(C)COc1ccccc1CCOCCc1ccccc1OCC(C)C
InChIInChI=1S/C24H34O3/c1-19(2)17-26-23-11-7-5-9-21(23)13-15-25-16-14-22-10-6-8-12-24(22)27-18-20(3)4/h5-12,19-20H,13-18H2,1-4H3
InChIKeyGUYSESYZAILSHT-UHFFFAOYSA-N
MW370.53 g/mol
LogP5.56
Rot. Bonds12

About 1-(2-methylpropoxy)-2-[2-[2-[2-(2-methylpropoxy)phenyl]ethoxy]ethyl]benzene

1-(2-methylpropoxy)-2-[2-[2-[2-(2-methylpropoxy)phenyl]ethoxy]ethyl]benzene (PubChem CID 141096920) has the molecular formula C24H34O3 and a molecular weight of 370.53 g/mol. Its IUPAC name is 1-(2-methylpropoxy)-2-[2-[2-[2-(2-methylpropoxy)phenyl]ethoxy]ethyl]benzene.

Molecular Properties

Compound Name1-(2-methylpropoxy)-2-[2-[2-[2-(2-methylpropoxy)phenyl]ethoxy]ethyl]benzene
PubChem CID141096920
Molecular FormulaC24H34O3
Molecular Weight370.53 g/mol
Exact Mass370.25
IUPAC Name1-(2-methylpropoxy)-2-[2-[2-[2-(2-methylpropoxy)phenyl]ethoxy]ethyl]benzene
SMILESCC(C)COc1ccccc1CCOCCc1ccccc1OCC(C)C
InChIInChI=1S/C24H34O3/c1-19(2)17-26-23-11-7-5-9-21(23)13-15-25-16-14-22-10-6-8-12-24(22)27-18-20(3)4/h5-12,19-20H,13-18H2,1-4H3
InChIKeyGUYSESYZAILSHT-UHFFFAOYSA-N
XLogP5.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.53
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-2-[2-[2-(2-ethoxyphenyl)ethoxy]ethyl]benzene
CID 141096945
4-[2-(2-methylpropoxy)phenyl]butan-1-amine
CID 83932463
3-[2-(2-methylpropoxy)phenyl]propanoic acid
CID 82161462
1-[2-(2-methylpropoxy)phenyl]propan-2-ol
CID 82161419
2-methyl-3-[2-[2-(2-methylpropoxy)phenyl]ethyl]oxirane
CID 83932492
CID 71111467
CID 71111467
1-chloro-2-[2-(2-methylpropoxy)ethyl]benzene
CID 91692886
N-[[2-(2-methylpropoxy)phenyl]methyl]pyridin-2-amine
CID 133271435
2-[[2-(2-methylpropoxy)phenyl]methyl]guanidine
CID 110917976
4-[3-[2-(2-methylpropoxy)phenyl]propyl]morpholine
CID 170870421
1-(2-methylpropoxy)-2-propan-2-ylbenzene
CID 58901647
1-[[2-(2-methylpropoxy)phenyl]methyl]-2-phenylhydrazine
CID 169385411

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropoxy)-2-[2-[2-[2-(2-methylpropoxy)phenyl]ethoxy]ethyl]benzene?
The IUPAC name of 1-(2-methylpropoxy)-2-[2-[2-[2-(2-methylpropoxy)phenyl]ethoxy]ethyl]benzene (CID 141096920) is 1-(2-methylpropoxy)-2-[2-[2-[2-(2-methylpropoxy)phenyl]ethoxy]ethyl]benzene.
What is the SMILES notation for 1-(2-methylpropoxy)-2-[2-[2-[2-(2-methylpropoxy)phenyl]ethoxy]ethyl]benzene?
The canonical SMILES for 1-(2-methylpropoxy)-2-[2-[2-[2-(2-methylpropoxy)phenyl]ethoxy]ethyl]benzene is CC(C)COc1ccccc1CCOCCc1ccccc1OCC(C)C.
What is the InChIKey of 1-(2-methylpropoxy)-2-[2-[2-[2-(2-methylpropoxy)phenyl]ethoxy]ethyl]benzene?
The InChIKey is GUYSESYZAILSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O3/c1-19(2)17-26-23-11-7-5-9-21(23)13-15-25-16-14-22-10-6-8-12-24(22)27-18-20(3)4/h5-12,19-20H,13-18H2,1-4H3.
What are the key properties of 1-(2-methylpropoxy)-2-[2-[2-[2-(2-methylpropoxy)phenyl]ethoxy]ethyl]benzene?
1-(2-methylpropoxy)-2-[2-[2-[2-(2-methylpropoxy)phenyl]ethoxy]ethyl]benzene has a molecular weight of 370.53 g/mol, XLogP of 5.56, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropoxy)-2-[2-[2-[2-(2-methylpropoxy)phenyl]ethoxy]ethyl]benzene is sourced from PubChem (CID 141096920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).