2-[2-(bromomethyl)-2,3-dimethylbutyl]-1-methoxy-4-methylbenzene

C15H23BrO — CID 83153060

IUPAC2-[2-(bromomethyl)-2,3-dimethylbutyl]-1-methoxy-4-methylbenzene
SMILESCOc1ccc(C)cc1CC(C)(CBr)C(C)C
InChIInChI=1S/C15H23BrO/c1-11(2)15(4,10-16)9-13-8-12(3)6-7-14(13)17-5/h6-8,11H,9-10H2,1-5H3
InChIKeyBHICNZFDEAGHSG-UHFFFAOYSA-N
MW299.25 g/mol
LogP4.60
Rot. Bonds5

About 2-[2-(bromomethyl)-2,3-dimethylbutyl]-1-methoxy-4-methylbenzene

2-[2-(bromomethyl)-2,3-dimethylbutyl]-1-methoxy-4-methylbenzene (PubChem CID 83153060) has the molecular formula C15H23BrO and a molecular weight of 299.25 g/mol. Its IUPAC name is 2-[2-(bromomethyl)-2,3-dimethylbutyl]-1-methoxy-4-methylbenzene.

Molecular Properties

Compound Name2-[2-(bromomethyl)-2,3-dimethylbutyl]-1-methoxy-4-methylbenzene
PubChem CID83153060
Molecular FormulaC15H23BrO
Molecular Weight299.25 g/mol
Exact Mass298.09
IUPAC Name2-[2-(bromomethyl)-2,3-dimethylbutyl]-1-methoxy-4-methylbenzene
SMILESCOc1ccc(C)cc1CC(C)(CBr)C(C)C
InChIInChI=1S/C15H23BrO/c1-11(2)15(4,10-16)9-13-8-12(3)6-7-14(13)17-5/h6-8,11H,9-10H2,1-5H3
InChIKeyBHICNZFDEAGHSG-UHFFFAOYSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[2-(bromomethyl)-2,3-dimethylbutyl]-1-methoxy-4-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-2-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutan-1-amine
CID 112566938
1-methoxy-3-(2-methoxy-5-methylphenyl)-2-methylpropan-2-ol
CID 62534879
2-[2,2-bis(bromomethyl)-3-methylbutyl]-4-bromo-1-methoxybenzene
CID 79455463
2-(2,5-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)propan-2-ol
CID 62159640
3-(2-methoxy-5-methylphenyl)-2-methyl-2-phenylpropan-1-amine
CID 82141632
1-methoxy-4-methyl-2-(3-methyl-2-propan-2-ylbutyl)benzene
CID 171593330
2-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine
CID 63507865
4-[2-hydroxy-1-(2-methoxy-5-methylphenyl)propan-2-yl]phenol
CID 83075942
methyl 2-(aminomethyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropanoate
CID 106487848
2-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxy-4-methylbenzene
CID 83151729
1-(2-methoxy-5-methylphenyl)-2-methylheptan-2-ol
CID 80557783
N-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]-2-methylbutan-1-amine
CID 55106705

Frequently Asked Questions

What is the IUPAC name of 2-[2-(bromomethyl)-2,3-dimethylbutyl]-1-methoxy-4-methylbenzene?
The IUPAC name of 2-[2-(bromomethyl)-2,3-dimethylbutyl]-1-methoxy-4-methylbenzene (CID 83153060) is 2-[2-(bromomethyl)-2,3-dimethylbutyl]-1-methoxy-4-methylbenzene.
What is the SMILES notation for 2-[2-(bromomethyl)-2,3-dimethylbutyl]-1-methoxy-4-methylbenzene?
The canonical SMILES for 2-[2-(bromomethyl)-2,3-dimethylbutyl]-1-methoxy-4-methylbenzene is COc1ccc(C)cc1CC(C)(CBr)C(C)C.
What is the InChIKey of 2-[2-(bromomethyl)-2,3-dimethylbutyl]-1-methoxy-4-methylbenzene?
The InChIKey is BHICNZFDEAGHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrO/c1-11(2)15(4,10-16)9-13-8-12(3)6-7-14(13)17-5/h6-8,11H,9-10H2,1-5H3.
What are the key properties of 2-[2-(bromomethyl)-2,3-dimethylbutyl]-1-methoxy-4-methylbenzene?
2-[2-(bromomethyl)-2,3-dimethylbutyl]-1-methoxy-4-methylbenzene has a molecular weight of 299.25 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(bromomethyl)-2,3-dimethylbutyl]-1-methoxy-4-methylbenzene is sourced from PubChem (CID 83153060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).