1-(4-bromo-2-methylpentan-2-yl)-4-propan-2-yloxybenzene

C15H23BrO — CID 64715385

IUPAC1-(4-bromo-2-methylpentan-2-yl)-4-propan-2-yloxybenzene
SMILESCC(Br)CC(C)(C)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H23BrO/c1-11(2)17-14-8-6-13(7-9-14)15(4,5)10-12(3)16/h6-9,11-12H,10H2,1-5H3
InChIKeyGOITXWVSUBQPKB-UHFFFAOYSA-N
MW299.25 g/mol
LogP4.92
Rot. Bonds5

About 1-(4-bromo-2-methylpentan-2-yl)-4-propan-2-yloxybenzene

1-(4-bromo-2-methylpentan-2-yl)-4-propan-2-yloxybenzene (PubChem CID 64715385) has the molecular formula C15H23BrO and a molecular weight of 299.25 g/mol. Its IUPAC name is 1-(4-bromo-2-methylpentan-2-yl)-4-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-(4-bromo-2-methylpentan-2-yl)-4-propan-2-yloxybenzene
PubChem CID64715385
Molecular FormulaC15H23BrO
Molecular Weight299.25 g/mol
Exact Mass298.09
IUPAC Name1-(4-bromo-2-methylpentan-2-yl)-4-propan-2-yloxybenzene
SMILESCC(Br)CC(C)(C)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H23BrO/c1-11(2)17-14-8-6-13(7-9-14)15(4,5)10-12(3)16/h6-9,11-12H,10H2,1-5H3
InChIKeyGOITXWVSUBQPKB-UHFFFAOYSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N'-[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]methanediamine
CID 115226389
2,4-dimethyl-N-propan-2-yl-4-(4-propan-2-yloxyphenyl)pentan-2-amine
CID 166818197
[[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]amino]methanethiol
CID 115228565
2-(4-propan-2-yloxyphenyl)propane-1,2-diamine
CID 116855579
1-propan-2-yloxy-4-(2,5,5-trimethylhexan-3-yl)benzene
CID 123364737
2-[[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]amino]acetaldehyde
CID 115223542
4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]phenol
CID 21466220
1-(3-methylpentan-3-yloxy)-4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]benzene
CID 70794455
3-[[2-methyl-2-(4-propan-2-yloxyphenyl)propyl]amino]propanenitrile
CID 115231351
4-methoxy-2-(4-propan-2-yloxyphenyl)butan-2-amine
CID 62795409
(2R)-4-(4-methoxyphenyl)-4-methylpentan-2-amine
CID 42077610
1-phenyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 62795392

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylpentan-2-yl)-4-propan-2-yloxybenzene?
The IUPAC name of 1-(4-bromo-2-methylpentan-2-yl)-4-propan-2-yloxybenzene (CID 64715385) is 1-(4-bromo-2-methylpentan-2-yl)-4-propan-2-yloxybenzene.
What is the SMILES notation for 1-(4-bromo-2-methylpentan-2-yl)-4-propan-2-yloxybenzene?
The canonical SMILES for 1-(4-bromo-2-methylpentan-2-yl)-4-propan-2-yloxybenzene is CC(Br)CC(C)(C)c1ccc(OC(C)C)cc1.
What is the InChIKey of 1-(4-bromo-2-methylpentan-2-yl)-4-propan-2-yloxybenzene?
The InChIKey is GOITXWVSUBQPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrO/c1-11(2)17-14-8-6-13(7-9-14)15(4,5)10-12(3)16/h6-9,11-12H,10H2,1-5H3.
What are the key properties of 1-(4-bromo-2-methylpentan-2-yl)-4-propan-2-yloxybenzene?
1-(4-bromo-2-methylpentan-2-yl)-4-propan-2-yloxybenzene has a molecular weight of 299.25 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylpentan-2-yl)-4-propan-2-yloxybenzene is sourced from PubChem (CID 64715385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).