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

C11H15BrO — CID 103693573

IUPAC4-bromo-2-butan-2-yloxy-1-methylbenzene
SMILESCCC(C)Oc1cc(Br)ccc1C
InChIInChI=1S/C11H15BrO/c1-4-9(3)13-11-7-10(12)6-5-8(11)2/h5-7,9H,4H2,1-3H3
InChIKeyWSFBALWJZMBMIQ-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.93
Rot. Bonds3

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

4-bromo-2-butan-2-yloxy-1-methylbenzene (PubChem CID 103693573) has the molecular formula C11H15BrO and a molecular weight of 243.14 g/mol. Its IUPAC name is 4-bromo-2-butan-2-yloxy-1-methylbenzene.

Molecular Properties

Compound Name4-bromo-2-butan-2-yloxy-1-methylbenzene
PubChem CID103693573
Molecular FormulaC11H15BrO
Molecular Weight243.14 g/mol
Exact Mass242.03
IUPAC Name4-bromo-2-butan-2-yloxy-1-methylbenzene
SMILESCCC(C)Oc1cc(Br)ccc1C
InChIInChI=1S/C11H15BrO/c1-4-9(3)13-11-7-10(12)6-5-8(11)2/h5-7,9H,4H2,1-3H3
InChIKeyWSFBALWJZMBMIQ-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

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Related Compounds

2-butan-2-yloxy-1,4-dimethylbenzene
CID 20737129
2-butan-2-yloxy-1-methyl-4-propan-2-ylbenzene
CID 81005711
2-(5-bromo-2-methylphenoxy)-N-propan-2-ylbutan-1-amine
CID 107286035
4-bromo-1-methyl-2-(2-methylbutoxy)benzene
CID 107283947
4-bromo-2-(difluoromethoxy)-1-methylbenzene
CID 45158712
2-(5-bromo-2-methylphenoxy)-N-ethylbutan-1-amine
CID 107286034
2-(5-bromo-2-methylphenoxy)-3-methyl-N-propylbutan-1-amine
CID 107286248
2-(5-bromo-2-methylphenoxy)-N-tert-butylbutan-1-amine
CID 107285816
2-(5-bromo-2-methylphenoxy)pentan-1-amine
CID 107286173
2-bromo-4-butan-2-yloxy-1-methylbenzene
CID 127004858
ethyl 2-(5-bromo-2-methylphenoxy)-2-fluoroacetate
CID 107283157
2-(5-bromo-2-methylphenoxy)propanethioamide
CID 107283881

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-butan-2-yloxy-1-methylbenzene?
The IUPAC name of 4-bromo-2-butan-2-yloxy-1-methylbenzene (CID 103693573) is 4-bromo-2-butan-2-yloxy-1-methylbenzene.
What is the SMILES notation for 4-bromo-2-butan-2-yloxy-1-methylbenzene?
The canonical SMILES for 4-bromo-2-butan-2-yloxy-1-methylbenzene is CCC(C)Oc1cc(Br)ccc1C.
What is the InChIKey of 4-bromo-2-butan-2-yloxy-1-methylbenzene?
The InChIKey is WSFBALWJZMBMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO/c1-4-9(3)13-11-7-10(12)6-5-8(11)2/h5-7,9H,4H2,1-3H3.
What are the key properties of 4-bromo-2-butan-2-yloxy-1-methylbenzene?
4-bromo-2-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 4-bromo-2-butan-2-yloxy-1-methylbenzene is sourced from PubChem (CID 103693573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).