[(2S)-3-methoxy-3-methylbutan-2-yl]benzene

C12H18O — CID 67208370

IUPAC[(2S)-3-methoxy-3-methylbutan-2-yl]benzene
SMILESCOC(C)(C)[C@@H](C)c1ccccc1
InChIInChI=1S/C12H18O/c1-10(12(2,3)13-4)11-8-6-5-7-9-11/h5-10H,1-4H3/t10-/m0/s1
InChIKeyXQGMDEPHMUOABV-JTQLQIEISA-N
MW178.28 g/mol
LogP3.22
Rot. Bonds3

About [(2S)-3-methoxy-3-methylbutan-2-yl]benzene

[(2S)-3-methoxy-3-methylbutan-2-yl]benzene (PubChem CID 67208370) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is [(2S)-3-methoxy-3-methylbutan-2-yl]benzene.

Molecular Properties

Compound Name[(2S)-3-methoxy-3-methylbutan-2-yl]benzene
PubChem CID67208370
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name[(2S)-3-methoxy-3-methylbutan-2-yl]benzene
SMILESCOC(C)(C)[C@@H](C)c1ccccc1
InChIInChI=1S/C12H18O/c1-10(12(2,3)13-4)11-8-6-5-7-9-11/h5-10H,1-4H3/t10-/m0/s1
InChIKeyXQGMDEPHMUOABV-JTQLQIEISA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-dimethoxy-2-phenylpropan-1-ol
CID 102056743
2-methoxy-2-methyl-1-phenylpropan-1-amine
CID 76606196
cumene;2-methoxy-2-methylpropane
CID 68666509
2-amino-3-phenylbutan-2-ol
CID 68615274
3,3,4-trimethylpentan-2-ylbenzene;yttrium(3+)
CID 20642617
2-[(3-methoxy-3-methylbutan-2-yl)amino]-2-phenylethanol
CID 114228231
dihydroxy-(2-methyl-3-phenylbutan-2-yl)oxy-silylperoxysilane
CID 174469110
methyl(1,1,2-triphenylpropyl)phosphane
CID 69389648
1-(2,3-dimethylbutan-2-yloxy)ethylbenzene
CID 154695390
methyl 2-methyl-2-(1-phenylethyl)but-3-enoate
CID 174886217
[(2S)-2,3-diphenylbutan-2-yl]hydrazine
CID 118682088
1-(3,3-dimethylbutan-2-yl)-4-phenoxybenzene
CID 59819110

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-methoxy-3-methylbutan-2-yl]benzene?
The IUPAC name of [(2S)-3-methoxy-3-methylbutan-2-yl]benzene (CID 67208370) is [(2S)-3-methoxy-3-methylbutan-2-yl]benzene.
What is the SMILES notation for [(2S)-3-methoxy-3-methylbutan-2-yl]benzene?
The canonical SMILES for [(2S)-3-methoxy-3-methylbutan-2-yl]benzene is COC(C)(C)[C@@H](C)c1ccccc1.
What is the InChIKey of [(2S)-3-methoxy-3-methylbutan-2-yl]benzene?
The InChIKey is XQGMDEPHMUOABV-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18O/c1-10(12(2,3)13-4)11-8-6-5-7-9-11/h5-10H,1-4H3/t10-/m0/s1.
What are the key properties of [(2S)-3-methoxy-3-methylbutan-2-yl]benzene?
[(2S)-3-methoxy-3-methylbutan-2-yl]benzene has a molecular weight of 178.28 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-methoxy-3-methylbutan-2-yl]benzene is sourced from PubChem (CID 67208370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).