1-bromo-4-(2-ethoxyethoxy)-2,3,5,6-tetramethylbenzene

C14H21BrO2 — CID 23157400

IUPAC1-bromo-4-(2-ethoxyethoxy)-2,3,5,6-tetramethylbenzene
SMILESCCOCCOc1c(C)c(C)c(Br)c(C)c1C
InChIInChI=1S/C14H21BrO2/c1-6-16-7-8-17-14-11(4)9(2)13(15)10(3)12(14)5/h6-8H2,1-5H3
InChIKeySVTSNKDDEXJEAM-UHFFFAOYSA-N
MW301.22 g/mol
LogP4.10
Rot. Bonds5

About 1-bromo-4-(2-ethoxyethoxy)-2,3,5,6-tetramethylbenzene

1-bromo-4-(2-ethoxyethoxy)-2,3,5,6-tetramethylbenzene (PubChem CID 23157400) has the molecular formula C14H21BrO2 and a molecular weight of 301.22 g/mol. Its IUPAC name is 1-bromo-4-(2-ethoxyethoxy)-2,3,5,6-tetramethylbenzene.

Molecular Properties

Compound Name1-bromo-4-(2-ethoxyethoxy)-2,3,5,6-tetramethylbenzene
PubChem CID23157400
Molecular FormulaC14H21BrO2
Molecular Weight301.22 g/mol
Exact Mass300.07
IUPAC Name1-bromo-4-(2-ethoxyethoxy)-2,3,5,6-tetramethylbenzene
SMILESCCOCCOc1c(C)c(C)c(Br)c(C)c1C
InChIInChI=1S/C14H21BrO2/c1-6-16-7-8-17-14-11(4)9(2)13(15)10(3)12(14)5/h6-8H2,1-5H3
InChIKeySVTSNKDDEXJEAM-UHFFFAOYSA-N
XLogP4.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 54.10
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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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2-ethoxyethoxy)-2,3,5,6-tetramethylbenzene?
The IUPAC name of 1-bromo-4-(2-ethoxyethoxy)-2,3,5,6-tetramethylbenzene (CID 23157400) is 1-bromo-4-(2-ethoxyethoxy)-2,3,5,6-tetramethylbenzene.
What is the SMILES notation for 1-bromo-4-(2-ethoxyethoxy)-2,3,5,6-tetramethylbenzene?
The canonical SMILES for 1-bromo-4-(2-ethoxyethoxy)-2,3,5,6-tetramethylbenzene is CCOCCOc1c(C)c(C)c(Br)c(C)c1C.
What is the InChIKey of 1-bromo-4-(2-ethoxyethoxy)-2,3,5,6-tetramethylbenzene?
The InChIKey is SVTSNKDDEXJEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO2/c1-6-16-7-8-17-14-11(4)9(2)13(15)10(3)12(14)5/h6-8H2,1-5H3.
What are the key properties of 1-bromo-4-(2-ethoxyethoxy)-2,3,5,6-tetramethylbenzene?
1-bromo-4-(2-ethoxyethoxy)-2,3,5,6-tetramethylbenzene has a molecular weight of 301.22 g/mol, XLogP of 4.10, 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-ethoxyethoxy)-2,3,5,6-tetramethylbenzene is sourced from PubChem (CID 23157400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).