2-(4-bromo-2-methylpentan-2-yl)-1-methoxy-3,5-dimethylbenzene

C15H23BrO — CID 106681366

IUPAC2-(4-bromo-2-methylpentan-2-yl)-1-methoxy-3,5-dimethylbenzene
SMILESCOc1cc(C)cc(C)c1C(C)(C)CC(C)Br
InChIInChI=1S/C15H23BrO/c1-10-7-11(2)14(13(8-10)17-6)15(4,5)9-12(3)16/h7-8,12H,9H2,1-6H3
InChIKeyDKQBATSHHVURNR-UHFFFAOYSA-N
MW299.25 g/mol
LogP4.76
Rot. Bonds4

About 2-(4-bromo-2-methylpentan-2-yl)-1-methoxy-3,5-dimethylbenzene

2-(4-bromo-2-methylpentan-2-yl)-1-methoxy-3,5-dimethylbenzene (PubChem CID 106681366) has the molecular formula C15H23BrO and a molecular weight of 299.25 g/mol. Its IUPAC name is 2-(4-bromo-2-methylpentan-2-yl)-1-methoxy-3,5-dimethylbenzene.

Molecular Properties

Compound Name2-(4-bromo-2-methylpentan-2-yl)-1-methoxy-3,5-dimethylbenzene
PubChem CID106681366
Molecular FormulaC15H23BrO
Molecular Weight299.25 g/mol
Exact Mass298.09
IUPAC Name2-(4-bromo-2-methylpentan-2-yl)-1-methoxy-3,5-dimethylbenzene
SMILESCOc1cc(C)cc(C)c1C(C)(C)CC(C)Br
InChIInChI=1S/C15H23BrO/c1-10-7-11(2)14(13(8-10)17-6)15(4,5)9-12(3)16/h7-8,12H,9H2,1-6H3
InChIKeyDKQBATSHHVURNR-UHFFFAOYSA-N
XLogP4.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]amino]methanol
CID 115229682
N-[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]carbamoyl chloride
CID 115195188
1-[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]-3-methylurea
CID 115169613
1-(4-bromo-2-methylpentan-2-yl)-2-methoxybenzene
CID 64718135
2-(4-bromo-5-methoxy-2-methylphenyl)-N-methylethanamine;3-(2-methoxy-4,6-dimethylphenyl)-3-methylbutanal;2-methylpropanal
CID 168944776
(2S)-2-amino-2-(2-methoxy-4,6-dimethylphenyl)propanoic acid
CID 165354727
1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropan-2-amine
CID 82470482
4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-5-methylphenol
CID 117300448
5-(2,4-dimethyl-6-propan-2-yloxyphenyl)-2,5-dimethylhexan-3-one
CID 122674449
1-(2-methoxy-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 106682653
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106680438
2-(3-bromo-2-methylpropyl)-1-methoxy-3,5-dimethylbenzene
CID 106681362

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylpentan-2-yl)-1-methoxy-3,5-dimethylbenzene?
The IUPAC name of 2-(4-bromo-2-methylpentan-2-yl)-1-methoxy-3,5-dimethylbenzene (CID 106681366) is 2-(4-bromo-2-methylpentan-2-yl)-1-methoxy-3,5-dimethylbenzene.
What is the SMILES notation for 2-(4-bromo-2-methylpentan-2-yl)-1-methoxy-3,5-dimethylbenzene?
The canonical SMILES for 2-(4-bromo-2-methylpentan-2-yl)-1-methoxy-3,5-dimethylbenzene is COc1cc(C)cc(C)c1C(C)(C)CC(C)Br.
What is the InChIKey of 2-(4-bromo-2-methylpentan-2-yl)-1-methoxy-3,5-dimethylbenzene?
The InChIKey is DKQBATSHHVURNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrO/c1-10-7-11(2)14(13(8-10)17-6)15(4,5)9-12(3)16/h7-8,12H,9H2,1-6H3.
What are the key properties of 2-(4-bromo-2-methylpentan-2-yl)-1-methoxy-3,5-dimethylbenzene?
2-(4-bromo-2-methylpentan-2-yl)-1-methoxy-3,5-dimethylbenzene has a molecular weight of 299.25 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylpentan-2-yl)-1-methoxy-3,5-dimethylbenzene is sourced from PubChem (CID 106681366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).