2-tert-butyl-1-methoxy-4-methylbenzene;1,3-ditert-butyl-2-methoxybenzene

C27H42O2 — CID 143390166

IUPAC2-tert-butyl-1-methoxy-4-methylbenzene;1,3-ditert-butyl-2-methoxybenzene
SMILESCOc1c(C(C)(C)C)cccc1C(C)(C)C.COc1ccc(C)cc1C(C)(C)C
InChIInChI=1S/C15H24O.C12H18O/c1-14(2,3)11-9-8-10-12(13(11)16-7)15(4,5)6;1-9-6-7-11(13-5)10(8-9)12(2,3)4/h8-10H,1-7H3;6-8H,1-5H3
InChIKeySAROZWNJIHLLRI-UHFFFAOYSA-N
MW398.63 g/mol
LogP7.59
Rot. Bonds2

About 2-tert-butyl-1-methoxy-4-methylbenzene;1,3-ditert-butyl-2-methoxybenzene

2-tert-butyl-1-methoxy-4-methylbenzene;1,3-ditert-butyl-2-methoxybenzene (PubChem CID 143390166) has the molecular formula C27H42O2 and a molecular weight of 398.63 g/mol. Its IUPAC name is 2-tert-butyl-1-methoxy-4-methylbenzene;1,3-ditert-butyl-2-methoxybenzene.

Molecular Properties

Compound Name2-tert-butyl-1-methoxy-4-methylbenzene;1,3-ditert-butyl-2-methoxybenzene
PubChem CID143390166
Molecular FormulaC27H42O2
Molecular Weight398.63 g/mol
Exact Mass398.32
IUPAC Name2-tert-butyl-1-methoxy-4-methylbenzene;1,3-ditert-butyl-2-methoxybenzene
SMILESCOc1c(C(C)(C)C)cccc1C(C)(C)C.COc1ccc(C)cc1C(C)(C)C
InChIInChI=1S/C15H24O.C12H18O/c1-14(2,3)11-9-8-10-12(13(11)16-7)15(4,5)6;1-9-6-7-11(13-5)10(8-9)12(2,3)4/h8-10H,1-7H3;6-8H,1-5H3
InChIKeySAROZWNJIHLLRI-UHFFFAOYSA-N
XLogP7.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.63
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxy-5-methylphenyl)-N-methylpropan-2-amine
CID 82281676
1-tert-butyl-6-methylnaphthalene
CID 3019596
3-(2-methoxy-5-methylphenyl)pentan-3-ol
CID 62796425
1-methoxy-2-[2-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]-4-methylbenzene
CID 13360661
1-(2-methoxy-5-methylphenyl)-1-(3-methoxyphenyl)ethanol
CID 62795740
N-[[2-[2-(2-tert-butyl-4-methylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 20993969
3-tert-butyl-4-methoxybenzaldehyde
CID 3774604
(2-tert-butyl-4-methylphenyl) dihydrogen phosphite
CID 19741799
1-iodo-2-(2-methoxy-5-methylphenyl)propan-2-ol
CID 131862050
2-amino-2-(2-methoxy-5-methylphenyl)propanenitrile
CID 16794194
tert-butylbenzene;1-tert-butyl-2,3-dimethoxybenzene;4-tert-butyl-1,2-dimethoxybenzene;(3-tert-butyl-4-methoxyphenyl)methanol;1-tert-butyl-3-methylbenzene;(3-tert-butyl-5-methylphenyl)methanol
CID 160683321
1-(2-tert-butylphenyl)-3-(2-methoxy-5-methylphenyl)urea
CID 108991730

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-methoxy-4-methylbenzene;1,3-ditert-butyl-2-methoxybenzene?
The IUPAC name of 2-tert-butyl-1-methoxy-4-methylbenzene;1,3-ditert-butyl-2-methoxybenzene (CID 143390166) is 2-tert-butyl-1-methoxy-4-methylbenzene;1,3-ditert-butyl-2-methoxybenzene.
What is the SMILES notation for 2-tert-butyl-1-methoxy-4-methylbenzene;1,3-ditert-butyl-2-methoxybenzene?
The canonical SMILES for 2-tert-butyl-1-methoxy-4-methylbenzene;1,3-ditert-butyl-2-methoxybenzene is COc1c(C(C)(C)C)cccc1C(C)(C)C.COc1ccc(C)cc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-methoxy-4-methylbenzene;1,3-ditert-butyl-2-methoxybenzene?
The InChIKey is SAROZWNJIHLLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O.C12H18O/c1-14(2,3)11-9-8-10-12(13(11)16-7)15(4,5)6;1-9-6-7-11(13-5)10(8-9)12(2,3)4/h8-10H,1-7H3;6-8H,1-5H3.
What are the key properties of 2-tert-butyl-1-methoxy-4-methylbenzene;1,3-ditert-butyl-2-methoxybenzene?
2-tert-butyl-1-methoxy-4-methylbenzene;1,3-ditert-butyl-2-methoxybenzene has a molecular weight of 398.63 g/mol, XLogP of 7.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-methoxy-4-methylbenzene;1,3-ditert-butyl-2-methoxybenzene is sourced from PubChem (CID 143390166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).