2-bromo-1-propan-2-yl-4-propan-2-yloxybenzene

C12H17BrO — CID 130848311

IUPAC2-bromo-1-propan-2-yl-4-propan-2-yloxybenzene
SMILESCC(C)Oc1ccc(C(C)C)c(Br)c1
InChIInChI=1S/C12H17BrO/c1-8(2)11-6-5-10(7-12(11)13)14-9(3)4/h5-9H,1-4H3
InChIKeyNXJOWAWVIYAWFG-UHFFFAOYSA-N
MW257.17 g/mol
LogP4.36
Rot. Bonds3

About 2-bromo-1-propan-2-yl-4-propan-2-yloxybenzene

2-bromo-1-propan-2-yl-4-propan-2-yloxybenzene (PubChem CID 130848311) has the molecular formula C12H17BrO and a molecular weight of 257.17 g/mol. Its IUPAC name is 2-bromo-1-propan-2-yl-4-propan-2-yloxybenzene.

Molecular Properties

Compound Name2-bromo-1-propan-2-yl-4-propan-2-yloxybenzene
PubChem CID130848311
Molecular FormulaC12H17BrO
Molecular Weight257.17 g/mol
Exact Mass256.05
IUPAC Name2-bromo-1-propan-2-yl-4-propan-2-yloxybenzene
SMILESCC(C)Oc1ccc(C(C)C)c(Br)c1
InChIInChI=1S/C12H17BrO/c1-8(2)11-6-5-10(7-12(11)13)14-9(3)4/h5-9H,1-4H3
InChIKeyNXJOWAWVIYAWFG-UHFFFAOYSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-4-propan-2-yloxybenzonitrile
CID 104573950
2-bromo-4-propan-2-yloxybenzaldehyde
CID 104573949
(3-methyl-4-propan-2-ylphenyl) 2-bromo-5-methoxybenzoate
CID 7927182
1-(2-ethyl-4-propan-2-yloxyphenyl)ethanamine
CID 82267415
1-(2-bromo-4-methoxyphenyl)ethanamine;hydrochloride
CID 122360281
(2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 107947698
(2-bromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 105019095
[(2-bromo-4-methylphenyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine
CID 105304109
(2-amino-4-propan-2-yloxyphenyl)methanediol
CID 142498218
(1R)-1-(2-iodo-4-propan-2-yloxyphenyl)ethanamine
CID 130673474
2-bromo-4-ethyl-1-propan-2-ylbenzene
CID 71164366
1,3-dibromo-5-propan-2-yloxybenzene
CID 50998234

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-propan-2-yl-4-propan-2-yloxybenzene?
The IUPAC name of 2-bromo-1-propan-2-yl-4-propan-2-yloxybenzene (CID 130848311) is 2-bromo-1-propan-2-yl-4-propan-2-yloxybenzene.
What is the SMILES notation for 2-bromo-1-propan-2-yl-4-propan-2-yloxybenzene?
The canonical SMILES for 2-bromo-1-propan-2-yl-4-propan-2-yloxybenzene is CC(C)Oc1ccc(C(C)C)c(Br)c1.
What is the InChIKey of 2-bromo-1-propan-2-yl-4-propan-2-yloxybenzene?
The InChIKey is NXJOWAWVIYAWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO/c1-8(2)11-6-5-10(7-12(11)13)14-9(3)4/h5-9H,1-4H3.
What are the key properties of 2-bromo-1-propan-2-yl-4-propan-2-yloxybenzene?
2-bromo-1-propan-2-yl-4-propan-2-yloxybenzene has a molecular weight of 257.17 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-propan-2-yl-4-propan-2-yloxybenzene is sourced from PubChem (CID 130848311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).