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

C11H15BrO — CID 11096814

IUPAC1-bromo-4-[(2-methylpropan-2-yl)oxymethyl]benzene
SMILESCC(C)(C)OCc1ccc(Br)cc1
InChIInChI=1S/C11H15BrO/c1-11(2,3)13-8-9-4-6-10(12)7-5-9/h4-7H,8H2,1-3H3
InChIKeyHIYXDGGLSJYYCO-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.76
Rot. Bonds2

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

1-bromo-4-[(2-methylpropan-2-yl)oxymethyl]benzene (PubChem CID 11096814) has the molecular formula C11H15BrO and a molecular weight of 243.14 g/mol. Its IUPAC name is 1-bromo-4-[(2-methylpropan-2-yl)oxymethyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(2-methylpropan-2-yl)oxymethyl]benzene
PubChem CID11096814
Molecular FormulaC11H15BrO
Molecular Weight243.14 g/mol
Exact Mass242.03
IUPAC Name1-bromo-4-[(2-methylpropan-2-yl)oxymethyl]benzene
SMILESCC(C)(C)OCc1ccc(Br)cc1
InChIInChI=1S/C11H15BrO/c1-11(2,3)13-8-9-4-6-10(12)7-5-9/h4-7H,8H2,1-3H3
InChIKeyHIYXDGGLSJYYCO-UHFFFAOYSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 53.76
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)oxymethyl]benzene?
The IUPAC name of 1-bromo-4-[(2-methylpropan-2-yl)oxymethyl]benzene (CID 11096814) is 1-bromo-4-[(2-methylpropan-2-yl)oxymethyl]benzene.
What is the SMILES notation for 1-bromo-4-[(2-methylpropan-2-yl)oxymethyl]benzene?
The canonical SMILES for 1-bromo-4-[(2-methylpropan-2-yl)oxymethyl]benzene is CC(C)(C)OCc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[(2-methylpropan-2-yl)oxymethyl]benzene?
The InChIKey is HIYXDGGLSJYYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO/c1-11(2,3)13-8-9-4-6-10(12)7-5-9/h4-7H,8H2,1-3H3.
What are the key properties of 1-bromo-4-[(2-methylpropan-2-yl)oxymethyl]benzene?
1-bromo-4-[(2-methylpropan-2-yl)oxymethyl]benzene has a molecular weight of 243.14 g/mol, XLogP of 3.76, 2 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)oxymethyl]benzene is sourced from PubChem (CID 11096814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).