1-bromo-4-[2-(2-tert-butylphenoxy)ethoxy]benzene

C18H21BrO2 — CID 63458032

IUPAC1-bromo-4-[2-(2-tert-butylphenoxy)ethoxy]benzene
SMILESCC(C)(C)c1ccccc1OCCOc1ccc(Br)cc1
InChIInChI=1S/C18H21BrO2/c1-18(2,3)16-6-4-5-7-17(16)21-13-12-20-15-10-8-14(19)9-11-15/h4-11H,12-13H2,1-3H3
InChIKeyCWCRELJMWWHVDI-UHFFFAOYSA-N
MW349.27 g/mol
LogP5.20
Rot. Bonds5

About 1-bromo-4-[2-(2-tert-butylphenoxy)ethoxy]benzene

1-bromo-4-[2-(2-tert-butylphenoxy)ethoxy]benzene (PubChem CID 63458032) has the molecular formula C18H21BrO2 and a molecular weight of 349.27 g/mol. Its IUPAC name is 1-bromo-4-[2-(2-tert-butylphenoxy)ethoxy]benzene.

Molecular Properties

Compound Name1-bromo-4-[2-(2-tert-butylphenoxy)ethoxy]benzene
PubChem CID63458032
Molecular FormulaC18H21BrO2
Molecular Weight349.27 g/mol
Exact Mass348.07
IUPAC Name1-bromo-4-[2-(2-tert-butylphenoxy)ethoxy]benzene
SMILESCC(C)(C)c1ccccc1OCCOc1ccc(Br)cc1
InChIInChI=1S/C18H21BrO2/c1-18(2,3)16-6-4-5-7-17(16)21-13-12-20-15-10-8-14(19)9-11-15/h4-11H,12-13H2,1-3H3
InChIKeyCWCRELJMWWHVDI-UHFFFAOYSA-N
XLogP5.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.27
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-tert-butylphenoxy)ethyl]-4-(2-phenoxyethoxy)aniline
CID 54799862
1-bromo-4-[2-(4-tert-butylphenoxy)ethoxy]benzene
CID 60627963
1-tert-butyl-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
CID 104567723
N-[2-(2-tert-butylphenoxy)ethyl]-3-(2-phenoxyethoxy)aniline
CID 54800772
1-(9-bromononoxy)-2-tert-butylbenzene
CID 105343207
[2-[2-(2-tert-butylphenoxy)ethoxy]phenyl]methanamine
CID 20991684
N-[2-(2-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine
CID 54797243
1-tert-butyl-2-heptoxybenzene
CID 64763672
3-[2-(2-tert-butylphenoxy)ethoxy]benzoic acid
CID 20992972
N-[2-(2-tert-butylphenoxy)ethyl]-3-(2-ethoxyethoxy)aniline
CID 54802101
3-bromo-4-[2-(2-tert-butylphenoxy)ethoxy]benzaldehyde
CID 22683798
2-(2-tert-butylphenoxy)-N-ethylethanamine
CID 29015338

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[2-(2-tert-butylphenoxy)ethoxy]benzene?
The IUPAC name of 1-bromo-4-[2-(2-tert-butylphenoxy)ethoxy]benzene (CID 63458032) is 1-bromo-4-[2-(2-tert-butylphenoxy)ethoxy]benzene.
What is the SMILES notation for 1-bromo-4-[2-(2-tert-butylphenoxy)ethoxy]benzene?
The canonical SMILES for 1-bromo-4-[2-(2-tert-butylphenoxy)ethoxy]benzene is CC(C)(C)c1ccccc1OCCOc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[2-(2-tert-butylphenoxy)ethoxy]benzene?
The InChIKey is CWCRELJMWWHVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrO2/c1-18(2,3)16-6-4-5-7-17(16)21-13-12-20-15-10-8-14(19)9-11-15/h4-11H,12-13H2,1-3H3.
What are the key properties of 1-bromo-4-[2-(2-tert-butylphenoxy)ethoxy]benzene?
1-bromo-4-[2-(2-tert-butylphenoxy)ethoxy]benzene has a molecular weight of 349.27 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[2-(2-tert-butylphenoxy)ethoxy]benzene is sourced from PubChem (CID 63458032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).