2-tert-butyl-1-methoxy-3-methyl-5-propan-2-ylbenzene

C15H24O — CID 170384005

IUPAC2-tert-butyl-1-methoxy-3-methyl-5-propan-2-ylbenzene
SMILESCOc1cc(C(C)C)cc(C)c1C(C)(C)C
InChIInChI=1S/C15H24O/c1-10(2)12-8-11(3)14(15(4,5)6)13(9-12)16-7/h8-10H,1-7H3
InChIKeyKCCHJKNWPUEUDY-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.42
Rot. Bonds2

About 2-tert-butyl-1-methoxy-3-methyl-5-propan-2-ylbenzene

2-tert-butyl-1-methoxy-3-methyl-5-propan-2-ylbenzene (PubChem CID 170384005) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-tert-butyl-1-methoxy-3-methyl-5-propan-2-ylbenzene.

Molecular Properties

Compound Name2-tert-butyl-1-methoxy-3-methyl-5-propan-2-ylbenzene
PubChem CID170384005
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2-tert-butyl-1-methoxy-3-methyl-5-propan-2-ylbenzene
SMILESCOc1cc(C(C)C)cc(C)c1C(C)(C)C
InChIInChI=1S/C15H24O/c1-10(2)12-8-11(3)14(15(4,5)6)13(9-12)16-7/h8-10H,1-7H3
InChIKeyKCCHJKNWPUEUDY-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-1,3-dimethyl-5-propan-2-ylbenzene
CID 153423186
2-tert-butyl-1-chloro-3-methyl-5-propan-2-ylbenzene
CID 139403950
2-tert-butyl-1-fluoro-3-methyl-5-propan-2-ylbenzene
CID 139403847
3-tert-butyl-4-methoxy-2,6-dimethylphenol
CID 58864792
2-(4-bromo-2-methylpentan-2-yl)-1-methoxy-3,5-dimethylbenzene
CID 106681366
1,3-dimethyl-2,5-di(propan-2-yl)benzene
CID 59820900
ethane;3-methoxy-2-methyl-5-propan-2-ylpyridine
CID 142518754
(4-tert-butylphenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61080698
1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-amine
CID 43379636
1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene
CID 144562755
(1S)-1-(3-methoxy-4-methylphenyl)-2,2-dimethylpropan-1-amine
CID 131536439
1-methoxy-4-methyl-6-propan-2-ylnaphthalene
CID 101078716

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-methoxy-3-methyl-5-propan-2-ylbenzene?
The IUPAC name of 2-tert-butyl-1-methoxy-3-methyl-5-propan-2-ylbenzene (CID 170384005) is 2-tert-butyl-1-methoxy-3-methyl-5-propan-2-ylbenzene.
What is the SMILES notation for 2-tert-butyl-1-methoxy-3-methyl-5-propan-2-ylbenzene?
The canonical SMILES for 2-tert-butyl-1-methoxy-3-methyl-5-propan-2-ylbenzene is COc1cc(C(C)C)cc(C)c1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-methoxy-3-methyl-5-propan-2-ylbenzene?
The InChIKey is KCCHJKNWPUEUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-10(2)12-8-11(3)14(15(4,5)6)13(9-12)16-7/h8-10H,1-7H3.
What are the key properties of 2-tert-butyl-1-methoxy-3-methyl-5-propan-2-ylbenzene?
2-tert-butyl-1-methoxy-3-methyl-5-propan-2-ylbenzene has a molecular weight of 220.36 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-methoxy-3-methyl-5-propan-2-ylbenzene is sourced from PubChem (CID 170384005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).