1-bromo-4-[(2-methylpropan-2-yl)oxy]benzene

C10H13BrO — CID 2763959

IUPAC1-bromo-4-[(2-methylpropan-2-yl)oxy]benzene
SMILESCC(C)(C)Oc1ccc(Br)cc1
InChIInChI=1S/C10H13BrO/c1-10(2,3)12-9-6-4-8(11)5-7-9/h4-7H,1-3H3
InChIKeyQIWQHUCUWNGYDZ-UHFFFAOYSA-N
MW229.12 g/mol
LogP3.63
Rot. Bonds1

About 1-bromo-4-[(2-methylpropan-2-yl)oxy]benzene

1-bromo-4-[(2-methylpropan-2-yl)oxy]benzene (PubChem CID 2763959) has the molecular formula C10H13BrO and a molecular weight of 229.12 g/mol. Its IUPAC name is 1-bromo-4-[(2-methylpropan-2-yl)oxy]benzene.

Molecular Properties

Compound Name1-bromo-4-[(2-methylpropan-2-yl)oxy]benzene
PubChem CID2763959
Molecular FormulaC10H13BrO
Molecular Weight229.12 g/mol
Exact Mass228.01
IUPAC Name1-bromo-4-[(2-methylpropan-2-yl)oxy]benzene
SMILESCC(C)(C)Oc1ccc(Br)cc1
InChIInChI=1S/C10H13BrO/c1-10(2,3)12-9-6-4-8(11)5-7-9/h4-7H,1-3H3
InChIKeyQIWQHUCUWNGYDZ-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(2-methylpropan-2-yl)oxy]benzene?
The IUPAC name of 1-bromo-4-[(2-methylpropan-2-yl)oxy]benzene (CID 2763959) is 1-bromo-4-[(2-methylpropan-2-yl)oxy]benzene.
What is the SMILES notation for 1-bromo-4-[(2-methylpropan-2-yl)oxy]benzene?
The canonical SMILES for 1-bromo-4-[(2-methylpropan-2-yl)oxy]benzene is CC(C)(C)Oc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[(2-methylpropan-2-yl)oxy]benzene?
The InChIKey is QIWQHUCUWNGYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO/c1-10(2,3)12-9-6-4-8(11)5-7-9/h4-7H,1-3H3.
What are the key properties of 1-bromo-4-[(2-methylpropan-2-yl)oxy]benzene?
1-bromo-4-[(2-methylpropan-2-yl)oxy]benzene has a molecular weight of 229.12 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(2-methylpropan-2-yl)oxy]benzene is sourced from PubChem (CID 2763959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).