1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene

C15H24O — CID 10932990

IUPAC1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
SMILESCC(C)(C)OCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H24O/c1-14(2,3)13-9-7-12(8-10-13)11-16-15(4,5)6/h7-10H,11H2,1-6H3
InChIKeyCFZNJXXONCHMHE-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.30
Rot. Bonds2

About 1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene

1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene (PubChem CID 10932990) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene.

Molecular Properties

Compound Name1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
PubChem CID10932990
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
SMILESCC(C)(C)OCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H24O/c1-14(2,3)13-9-7-12(8-10-13)11-16-15(4,5)6/h7-10H,11H2,1-6H3
InChIKeyCFZNJXXONCHMHE-UHFFFAOYSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 12709980
ethane;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 144538467
1-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 11206354
4-[(2-methylpropan-2-yl)oxymethyl]benzoic acid
CID 4694749
N-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzamide
CID 138647840
1-tert-butyl-4-(trioxidanylmethyl)benzene
CID 88578180
4-tert-butyl-1,2-bis[(2-methylpropan-2-yl)oxymethyl]benzene
CID 141200512
4-[(2-methylpropan-2-yl)oxymethyl]-N-(2-methylpropyl)aniline
CID 146626149
1-tert-butyl-4-(prop-1-enoxymethyl)benzene
CID 56615237
tert-butyl-[(4-tert-butylphenyl)methoxy]-dimethylsilane
CID 101140446
1-tert-butyl-4-[(4-tert-butylphenyl)methyl]benzene;ethane
CID 144989068
1-tert-butyl-4-ethylbenzene
CID 157359507

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene?
The IUPAC name of 1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene (CID 10932990) is 1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene.
What is the SMILES notation for 1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene?
The canonical SMILES for 1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene is CC(C)(C)OCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene?
The InChIKey is CFZNJXXONCHMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-14(2,3)13-9-7-12(8-10-13)11-16-15(4,5)6/h7-10H,11H2,1-6H3.
What are the key properties of 1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene?
1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene has a molecular weight of 220.36 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene is sourced from PubChem (CID 10932990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).