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

C12H17BrO — CID 22039362

IUPAC4-bromo-2-propan-2-yl-1-propan-2-yloxybenzene
SMILESCC(C)Oc1ccc(Br)cc1C(C)C
InChIInChI=1S/C12H17BrO/c1-8(2)11-7-10(13)5-6-12(11)14-9(3)4/h5-9H,1-4H3
InChIKeyOBDKGODWTSCXQC-UHFFFAOYSA-N
MW257.17 g/mol
LogP4.36
Rot. Bonds3

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

4-bromo-2-propan-2-yl-1-propan-2-yloxybenzene (PubChem CID 22039362) has the molecular formula C12H17BrO and a molecular weight of 257.17 g/mol. Its IUPAC name is 4-bromo-2-propan-2-yl-1-propan-2-yloxybenzene.

Molecular Properties

Compound Name4-bromo-2-propan-2-yl-1-propan-2-yloxybenzene
PubChem CID22039362
Molecular FormulaC12H17BrO
Molecular Weight257.17 g/mol
Exact Mass256.05
IUPAC Name4-bromo-2-propan-2-yl-1-propan-2-yloxybenzene
SMILESCC(C)Oc1ccc(Br)cc1C(C)C
InChIInChI=1S/C12H17BrO/c1-8(2)11-7-10(13)5-6-12(11)14-9(3)4/h5-9H,1-4H3
InChIKeyOBDKGODWTSCXQC-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

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4-bromo-2-methoxy-1-propan-2-yloxybenzene
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CID 115402763
2-(4-bromo-2-propan-2-ylphenoxy)-N-prop-2-ynylpropan-1-amine
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4-methylsulfanyl-2-propan-2-yl-1-propan-2-yloxybenzene
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4-bromo-2-propan-2-yloxyaniline
CID 50998232
1-(5-bromo-2-propan-2-yloxyphenyl)ethanone
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4-bromo-1-[(E)-3-chloroprop-2-enoxy]-2-propan-2-ylbenzene
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-propan-2-yl-1-propan-2-yloxybenzene?
The IUPAC name of 4-bromo-2-propan-2-yl-1-propan-2-yloxybenzene (CID 22039362) is 4-bromo-2-propan-2-yl-1-propan-2-yloxybenzene.
What is the SMILES notation for 4-bromo-2-propan-2-yl-1-propan-2-yloxybenzene?
The canonical SMILES for 4-bromo-2-propan-2-yl-1-propan-2-yloxybenzene is CC(C)Oc1ccc(Br)cc1C(C)C.
What is the InChIKey of 4-bromo-2-propan-2-yl-1-propan-2-yloxybenzene?
The InChIKey is OBDKGODWTSCXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO/c1-8(2)11-7-10(13)5-6-12(11)14-9(3)4/h5-9H,1-4H3.
What are the key properties of 4-bromo-2-propan-2-yl-1-propan-2-yloxybenzene?
4-bromo-2-propan-2-yl-1-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 4-bromo-2-propan-2-yl-1-propan-2-yloxybenzene is sourced from PubChem (CID 22039362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).