1-tert-butyl-3-[[1-(phenoxymethyl)cyclobutyl]methoxy]benzene

C22H28O2 — CID 141322110

IUPAC1-tert-butyl-3-[[1-(phenoxymethyl)cyclobutyl]methoxy]benzene
SMILESCC(C)(C)c1cccc(OCC2(COc3ccccc3)CCC2)c1
InChIInChI=1S/C22H28O2/c1-21(2,3)18-9-7-12-20(15-18)24-17-22(13-8-14-22)16-23-19-10-5-4-6-11-19/h4-7,9-12,15H,8,13-14,16-17H2,1-3H3
InChIKeyUUHXVOAZQOYDNL-UHFFFAOYSA-N
MW324.46 g/mol
LogP5.61
Rot. Bonds6

About 1-tert-butyl-3-[[1-(phenoxymethyl)cyclobutyl]methoxy]benzene

1-tert-butyl-3-[[1-(phenoxymethyl)cyclobutyl]methoxy]benzene (PubChem CID 141322110) has the molecular formula C22H28O2 and a molecular weight of 324.46 g/mol. Its IUPAC name is 1-tert-butyl-3-[[1-(phenoxymethyl)cyclobutyl]methoxy]benzene.

Molecular Properties

Compound Name1-tert-butyl-3-[[1-(phenoxymethyl)cyclobutyl]methoxy]benzene
PubChem CID141322110
Molecular FormulaC22H28O2
Molecular Weight324.46 g/mol
Exact Mass324.21
IUPAC Name1-tert-butyl-3-[[1-(phenoxymethyl)cyclobutyl]methoxy]benzene
SMILESCC(C)(C)c1cccc(OCC2(COc3ccccc3)CCC2)c1
InChIInChI=1S/C22H28O2/c1-21(2,3)18-9-7-12-20(15-18)24-17-22(13-8-14-22)16-23-19-10-5-4-6-11-19/h4-7,9-12,15H,8,13-14,16-17H2,1-3H3
InChIKeyUUHXVOAZQOYDNL-UHFFFAOYSA-N
XLogP5.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.46
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[[1-(phenoxymethyl)cyclobutyl]methoxy]benzene?
The IUPAC name of 1-tert-butyl-3-[[1-(phenoxymethyl)cyclobutyl]methoxy]benzene (CID 141322110) is 1-tert-butyl-3-[[1-(phenoxymethyl)cyclobutyl]methoxy]benzene.
What is the SMILES notation for 1-tert-butyl-3-[[1-(phenoxymethyl)cyclobutyl]methoxy]benzene?
The canonical SMILES for 1-tert-butyl-3-[[1-(phenoxymethyl)cyclobutyl]methoxy]benzene is CC(C)(C)c1cccc(OCC2(COc3ccccc3)CCC2)c1.
What is the InChIKey of 1-tert-butyl-3-[[1-(phenoxymethyl)cyclobutyl]methoxy]benzene?
The InChIKey is UUHXVOAZQOYDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O2/c1-21(2,3)18-9-7-12-20(15-18)24-17-22(13-8-14-22)16-23-19-10-5-4-6-11-19/h4-7,9-12,15H,8,13-14,16-17H2,1-3H3.
What are the key properties of 1-tert-butyl-3-[[1-(phenoxymethyl)cyclobutyl]methoxy]benzene?
1-tert-butyl-3-[[1-(phenoxymethyl)cyclobutyl]methoxy]benzene has a molecular weight of 324.46 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[[1-(phenoxymethyl)cyclobutyl]methoxy]benzene is sourced from PubChem (CID 141322110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).