2-bromo-1-(2,2-dimethylpropoxy)-3-ethoxybenzene

C13H19BrO2 — CID 170602979

IUPAC2-bromo-1-(2,2-dimethylpropoxy)-3-ethoxybenzene
SMILESCCOc1cccc(OCC(C)(C)C)c1Br
InChIInChI=1S/C13H19BrO2/c1-5-15-10-7-6-8-11(12(10)14)16-9-13(2,3)4/h6-8H,5,9H2,1-4H3
InChIKeyZMPHXGQPJDCVFG-UHFFFAOYSA-N
MW287.20 g/mol
LogP4.27
Rot. Bonds4

About 2-bromo-1-(2,2-dimethylpropoxy)-3-ethoxybenzene

2-bromo-1-(2,2-dimethylpropoxy)-3-ethoxybenzene (PubChem CID 170602979) has the molecular formula C13H19BrO2 and a molecular weight of 287.20 g/mol. Its IUPAC name is 2-bromo-1-(2,2-dimethylpropoxy)-3-ethoxybenzene.

Molecular Properties

Compound Name2-bromo-1-(2,2-dimethylpropoxy)-3-ethoxybenzene
PubChem CID170602979
Molecular FormulaC13H19BrO2
Molecular Weight287.20 g/mol
Exact Mass286.06
IUPAC Name2-bromo-1-(2,2-dimethylpropoxy)-3-ethoxybenzene
SMILESCCOc1cccc(OCC(C)(C)C)c1Br
InChIInChI=1S/C13H19BrO2/c1-5-15-10-7-6-8-11(12(10)14)16-9-13(2,3)4/h6-8H,5,9H2,1-4H3
InChIKeyZMPHXGQPJDCVFG-UHFFFAOYSA-N
XLogP4.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-bis(2,2-dimethylpropoxy)benzene
CID 15508253
1-(3-bromo-2,2-dimethylpropoxy)-2-ethoxybenzene
CID 64995079
2,3-dibromo-1-[2-(2,3-dibromo-4-ethoxyphenyl)propan-2-yl]-4-ethoxybenzene
CID 54514286
1-(2,2-dimethylpropoxy)-4-ethoxybenzene
CID 170603637
3-(2-ethoxyphenoxy)-2,2-dimethylpropan-1-ol
CID 79019083
2-bromo-6-ethoxybenzenethiol
CID 91874370
2-(2-bromo-3-ethoxyphenyl)-1,3-dioxolane
CID 66692910
3-(2-ethoxyphenoxy)-2,2-dimethylpropanoic acid
CID 20985587
2-tert-butyl-1-ethoxy-3-isocyanobenzene
CID 153497165
1,4-bis(2,2-dimethylpropoxy)-2,5-diiodobenzene
CID 86032793
O-[2-[2-(2,2-dimethylpropoxy)phenyl]phenyl]hydroxylamine
CID 170603146
3-(2,2-dimethylpropoxy)-2-methylpyridine;ethane
CID 143321750

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2,2-dimethylpropoxy)-3-ethoxybenzene?
The IUPAC name of 2-bromo-1-(2,2-dimethylpropoxy)-3-ethoxybenzene (CID 170602979) is 2-bromo-1-(2,2-dimethylpropoxy)-3-ethoxybenzene.
What is the SMILES notation for 2-bromo-1-(2,2-dimethylpropoxy)-3-ethoxybenzene?
The canonical SMILES for 2-bromo-1-(2,2-dimethylpropoxy)-3-ethoxybenzene is CCOc1cccc(OCC(C)(C)C)c1Br.
What is the InChIKey of 2-bromo-1-(2,2-dimethylpropoxy)-3-ethoxybenzene?
The InChIKey is ZMPHXGQPJDCVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO2/c1-5-15-10-7-6-8-11(12(10)14)16-9-13(2,3)4/h6-8H,5,9H2,1-4H3.
What are the key properties of 2-bromo-1-(2,2-dimethylpropoxy)-3-ethoxybenzene?
2-bromo-1-(2,2-dimethylpropoxy)-3-ethoxybenzene has a molecular weight of 287.20 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2,2-dimethylpropoxy)-3-ethoxybenzene is sourced from PubChem (CID 170602979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).