2-bromo-4-tert-butyl-1-(2-methylpropoxy)benzene

C14H21BrO — CID 176513448

IUPAC2-bromo-4-tert-butyl-1-(2-methylpropoxy)benzene
SMILESCC(C)COc1ccc(C(C)(C)C)cc1Br
InChIInChI=1S/C14H21BrO/c1-10(2)9-16-13-7-6-11(8-12(13)15)14(3,4)5/h6-8,10H,9H2,1-5H3
InChIKeyXWWYWCNZTAZGGR-UHFFFAOYSA-N
MW285.23 g/mol
LogP4.78
Rot. Bonds3

About 2-bromo-4-tert-butyl-1-(2-methylpropoxy)benzene

2-bromo-4-tert-butyl-1-(2-methylpropoxy)benzene (PubChem CID 176513448) has the molecular formula C14H21BrO and a molecular weight of 285.23 g/mol. Its IUPAC name is 2-bromo-4-tert-butyl-1-(2-methylpropoxy)benzene.

Molecular Properties

Compound Name2-bromo-4-tert-butyl-1-(2-methylpropoxy)benzene
PubChem CID176513448
Molecular FormulaC14H21BrO
Molecular Weight285.23 g/mol
Exact Mass284.08
IUPAC Name2-bromo-4-tert-butyl-1-(2-methylpropoxy)benzene
SMILESCC(C)COc1ccc(C(C)(C)C)cc1Br
InChIInChI=1S/C14H21BrO/c1-10(2)9-16-13-7-6-11(8-12(13)15)14(3,4)5/h6-8,10H,9H2,1-5H3
InChIKeyXWWYWCNZTAZGGR-UHFFFAOYSA-N
XLogP4.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromo-4-tert-butylphenoxy)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 17350184
2-bromo-4-tert-butyl-1-phenylmethoxybenzene
CID 15152030
4-(2-bromo-4-tert-butylphenoxy)-N-(2-methylpropyl)butanamide
CID 19201294
N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]-3-methylbutanamide
CID 17194089
3-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-4-(2-methylpropoxy)benzamide
CID 17199563
3-bromo-N-methyl-4-(2-methylpropoxy)benzamide
CID 17351710
2-[(2-bromo-4-tert-butylphenoxy)methyl]pyridine
CID 170931613
2-(2-bromo-4-tert-butylphenoxy)-N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]acetamide
CID 17350659
4-bromo-2-methyl-1-(2-methylpropoxy)benzene
CID 63529292
3-bromo-N-ethyl-4-(2-methylpropoxy)benzamide
CID 17351708
5-[3-bromo-4-(2-methylpropoxy)phenyl]-2H-tetrazole
CID 23540974
[5-bromo-2-(2-methylpropoxy)phenyl]methyl-tert-butylazanium
CID 7366809

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-tert-butyl-1-(2-methylpropoxy)benzene?
The IUPAC name of 2-bromo-4-tert-butyl-1-(2-methylpropoxy)benzene (CID 176513448) is 2-bromo-4-tert-butyl-1-(2-methylpropoxy)benzene.
What is the SMILES notation for 2-bromo-4-tert-butyl-1-(2-methylpropoxy)benzene?
The canonical SMILES for 2-bromo-4-tert-butyl-1-(2-methylpropoxy)benzene is CC(C)COc1ccc(C(C)(C)C)cc1Br.
What is the InChIKey of 2-bromo-4-tert-butyl-1-(2-methylpropoxy)benzene?
The InChIKey is XWWYWCNZTAZGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO/c1-10(2)9-16-13-7-6-11(8-12(13)15)14(3,4)5/h6-8,10H,9H2,1-5H3.
What are the key properties of 2-bromo-4-tert-butyl-1-(2-methylpropoxy)benzene?
2-bromo-4-tert-butyl-1-(2-methylpropoxy)benzene has a molecular weight of 285.23 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-tert-butyl-1-(2-methylpropoxy)benzene is sourced from PubChem (CID 176513448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).