1-bromo-4-(2-methoxypropan-2-yl)benzene

C10H13BrO — CID 15072385

IUPAC1-bromo-4-(2-methoxypropan-2-yl)benzene
SMILESCOC(C)(C)c1ccc(Br)cc1
InChIInChI=1S/C10H13BrO/c1-10(2,12-3)8-4-6-9(11)7-5-8/h4-7H,1-3H3
InChIKeySVSUUYAOGAZDBT-UHFFFAOYSA-N
MW229.12 g/mol
LogP3.33
Rot. Bonds2

About 1-bromo-4-(2-methoxypropan-2-yl)benzene

1-bromo-4-(2-methoxypropan-2-yl)benzene (PubChem CID 15072385) has the molecular formula C10H13BrO and a molecular weight of 229.12 g/mol. Its IUPAC name is 1-bromo-4-(2-methoxypropan-2-yl)benzene.

Molecular Properties

Compound Name1-bromo-4-(2-methoxypropan-2-yl)benzene
PubChem CID15072385
Molecular FormulaC10H13BrO
Molecular Weight229.12 g/mol
Exact Mass228.01
IUPAC Name1-bromo-4-(2-methoxypropan-2-yl)benzene
SMILESCOC(C)(C)c1ccc(Br)cc1
InChIInChI=1S/C10H13BrO/c1-10(2,12-3)8-4-6-9(11)7-5-8/h4-7H,1-3H3
InChIKeySVSUUYAOGAZDBT-UHFFFAOYSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Methyl cumyl ether
CID 70289
1-(4-Bromophenyl)-2-methylpropan-2-ol
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4-Bromo-alpha-propylbenzenemethanol
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4-Bromo-alpha-ethylbenzenemethanol
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2-(3-Bromophenyl)oxirane
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CID 614920
1-Bromo-4-(dimethoxymethyl)benzene
CID 688342
(1S)-1-(4-bromophenyl)ethan-1-ol
CID 2734890
1-Bromo-4-(1-methoxyethyl)benzene
CID 10965890

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2-methoxypropan-2-yl)benzene?
The IUPAC name of 1-bromo-4-(2-methoxypropan-2-yl)benzene (CID 15072385) is 1-bromo-4-(2-methoxypropan-2-yl)benzene.
What is the SMILES notation for 1-bromo-4-(2-methoxypropan-2-yl)benzene?
The canonical SMILES for 1-bromo-4-(2-methoxypropan-2-yl)benzene is COC(C)(C)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(2-methoxypropan-2-yl)benzene?
The InChIKey is SVSUUYAOGAZDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO/c1-10(2,12-3)8-4-6-9(11)7-5-8/h4-7H,1-3H3.
What are the key properties of 1-bromo-4-(2-methoxypropan-2-yl)benzene?
1-bromo-4-(2-methoxypropan-2-yl)benzene has a molecular weight of 229.12 g/mol, XLogP of 3.33, 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-methoxypropan-2-yl)benzene is sourced from PubChem (CID 15072385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).