1-(2-methylbutan-2-yl)-2-(propan-2-yloxymethyl)benzene

C15H24O — CID 70797828

IUPAC1-(2-methylbutan-2-yl)-2-(propan-2-yloxymethyl)benzene
SMILESCCC(C)(C)c1ccccc1COC(C)C
InChIInChI=1S/C15H24O/c1-6-15(4,5)14-10-8-7-9-13(14)11-16-12(2)3/h7-10,12H,6,11H2,1-5H3
InChIKeyNFKNHDFMJXIBAR-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.30
Rot. Bonds5

About 1-(2-methylbutan-2-yl)-2-(propan-2-yloxymethyl)benzene

1-(2-methylbutan-2-yl)-2-(propan-2-yloxymethyl)benzene (PubChem CID 70797828) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-(2-methylbutan-2-yl)-2-(propan-2-yloxymethyl)benzene.

Molecular Properties

Compound Name1-(2-methylbutan-2-yl)-2-(propan-2-yloxymethyl)benzene
PubChem CID70797828
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1-(2-methylbutan-2-yl)-2-(propan-2-yloxymethyl)benzene
SMILESCCC(C)(C)c1ccccc1COC(C)C
InChIInChI=1S/C15H24O/c1-6-15(4,5)14-10-8-7-9-13(14)11-16-12(2)3/h7-10,12H,6,11H2,1-5H3
InChIKeyNFKNHDFMJXIBAR-UHFFFAOYSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-2-(2-methylbutan-2-yl)benzene;methanamine;methane
CID 143578858
[2-(propan-2-yloxymethyl)phenyl]methanamine
CID 18070374
2-methyl-1,3-bis(propan-2-yloxymethyl)benzene
CID 101195448
ethane;1-methoxy-2-(propan-2-yloxymethyl)benzene
CID 154665730
N-[2-[2-(propan-2-yloxymethyl)phenyl]ethyl]propan-1-amine
CID 113314833
1-(2-methylbutan-2-yl)-2-(trifluoromethyl)benzene
CID 54002630
1,2-bis(butan-2-yloxymethyl)benzene
CID 21285753
[2-(propan-2-yloxymethyl)phenyl]methylidenehydrazine
CID 168529363
2-fluoro-3-(propan-2-yloxymethyl)aniline
CID 107347884
3-(propan-2-yloxymethyl)-1-benzothiophene
CID 117170953
2-(2-propylphenyl)butane-2,3-diamine
CID 54378770
2-[2-hydroxy-3-(propan-2-yloxymethyl)phenyl]acetic acid
CID 83891571

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutan-2-yl)-2-(propan-2-yloxymethyl)benzene?
The IUPAC name of 1-(2-methylbutan-2-yl)-2-(propan-2-yloxymethyl)benzene (CID 70797828) is 1-(2-methylbutan-2-yl)-2-(propan-2-yloxymethyl)benzene.
What is the SMILES notation for 1-(2-methylbutan-2-yl)-2-(propan-2-yloxymethyl)benzene?
The canonical SMILES for 1-(2-methylbutan-2-yl)-2-(propan-2-yloxymethyl)benzene is CCC(C)(C)c1ccccc1COC(C)C.
What is the InChIKey of 1-(2-methylbutan-2-yl)-2-(propan-2-yloxymethyl)benzene?
The InChIKey is NFKNHDFMJXIBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-6-15(4,5)14-10-8-7-9-13(14)11-16-12(2)3/h7-10,12H,6,11H2,1-5H3.
What are the key properties of 1-(2-methylbutan-2-yl)-2-(propan-2-yloxymethyl)benzene?
1-(2-methylbutan-2-yl)-2-(propan-2-yloxymethyl)benzene has a molecular weight of 220.36 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-yl)-2-(propan-2-yloxymethyl)benzene is sourced from PubChem (CID 70797828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).