2-bromo-4-butan-2-yloxy-1-methylbenzene

C11H15BrO — CID 127004858

IUPAC2-bromo-4-butan-2-yloxy-1-methylbenzene
SMILESCCC(C)Oc1ccc(C)c(Br)c1
InChIInChI=1S/C11H15BrO/c1-4-9(3)13-10-6-5-8(2)11(12)7-10/h5-7,9H,4H2,1-3H3
InChIKeyLTQIFVOCRHZTQH-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.93
Rot. Bonds3

About 2-bromo-4-butan-2-yloxy-1-methylbenzene

2-bromo-4-butan-2-yloxy-1-methylbenzene (PubChem CID 127004858) has the molecular formula C11H15BrO and a molecular weight of 243.14 g/mol. Its IUPAC name is 2-bromo-4-butan-2-yloxy-1-methylbenzene.

Molecular Properties

Compound Name2-bromo-4-butan-2-yloxy-1-methylbenzene
PubChem CID127004858
Molecular FormulaC11H15BrO
Molecular Weight243.14 g/mol
Exact Mass242.03
IUPAC Name2-bromo-4-butan-2-yloxy-1-methylbenzene
SMILESCCC(C)Oc1ccc(C)c(Br)c1
InChIInChI=1S/C11H15BrO/c1-4-9(3)13-10-6-5-8(2)11(12)7-10/h5-7,9H,4H2,1-3H3
InChIKeyLTQIFVOCRHZTQH-UHFFFAOYSA-N
XLogP3.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-bromo-4-butan-2-yloxy-1-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-bromo-4-butan-2-yloxybenzonitrile
CID 107276996
2-(3-bromo-4-methylphenoxy)propanoic acid
CID 131031677
(2R)-2-(3-bromo-4-methylphenoxy)propanoic acid
CID 130962484
4-bromo-2-butan-2-yloxy-1-methylbenzene
CID 103693573
(4-butan-2-yloxy-2-methylphenyl)-trifluoroboranuide
CID 83135004
2-bromo-4-[(3-bromo-4-methylphenoxy)methoxy]-1-methylbenzene
CID 166607692
1-(3-bromo-4-methylphenoxy)propan-2-ol
CID 130815670
O-(3-bromo-4-methylphenyl)hydroxylamine
CID 131165484
3-(4-butan-2-yloxy-2-methylphenyl)prop-2-yn-1-ol
CID 83134235
N-[2-(3,4-dimethylphenoxy)propyl]butan-2-amine
CID 55092854
2-bromo-1-methyl-4-prop-2-ynoxybenzene
CID 131137666
1-butan-2-yloxy-4-chlorobenzene
CID 14121698

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-butan-2-yloxy-1-methylbenzene?
The IUPAC name of 2-bromo-4-butan-2-yloxy-1-methylbenzene (CID 127004858) is 2-bromo-4-butan-2-yloxy-1-methylbenzene.
What is the SMILES notation for 2-bromo-4-butan-2-yloxy-1-methylbenzene?
The canonical SMILES for 2-bromo-4-butan-2-yloxy-1-methylbenzene is CCC(C)Oc1ccc(C)c(Br)c1.
What is the InChIKey of 2-bromo-4-butan-2-yloxy-1-methylbenzene?
The InChIKey is LTQIFVOCRHZTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO/c1-4-9(3)13-10-6-5-8(2)11(12)7-10/h5-7,9H,4H2,1-3H3.
What are the key properties of 2-bromo-4-butan-2-yloxy-1-methylbenzene?
2-bromo-4-butan-2-yloxy-1-methylbenzene has a molecular weight of 243.14 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-butan-2-yloxy-1-methylbenzene is sourced from PubChem (CID 127004858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).