4-(1-bromoethoxy)-2-methyl-5-propan-2-ylphenol

C12H17BrO2 — CID 70417038

IUPAC4-(1-bromoethoxy)-2-methyl-5-propan-2-ylphenol
SMILESCc1cc(OC(C)Br)c(C(C)C)cc1O
InChIInChI=1S/C12H17BrO2/c1-7(2)10-6-11(14)8(3)5-12(10)15-9(4)13/h5-7,9,14H,1-4H3
InChIKeyANOIYUUHYNHLBJ-UHFFFAOYSA-N
MW273.17 g/mol
LogP3.94
Rot. Bonds3

About 4-(1-bromoethoxy)-2-methyl-5-propan-2-ylphenol

4-(1-bromoethoxy)-2-methyl-5-propan-2-ylphenol (PubChem CID 70417038) has the molecular formula C12H17BrO2 and a molecular weight of 273.17 g/mol. Its IUPAC name is 4-(1-bromoethoxy)-2-methyl-5-propan-2-ylphenol.

Molecular Properties

Compound Name4-(1-bromoethoxy)-2-methyl-5-propan-2-ylphenol
PubChem CID70417038
Molecular FormulaC12H17BrO2
Molecular Weight273.17 g/mol
Exact Mass272.04
IUPAC Name4-(1-bromoethoxy)-2-methyl-5-propan-2-ylphenol
SMILESCc1cc(OC(C)Br)c(C(C)C)cc1O
InChIInChI=1S/C12H17BrO2/c1-7(2)10-6-11(14)8(3)5-12(10)15-9(4)13/h5-7,9,14H,1-4H3
InChIKeyANOIYUUHYNHLBJ-UHFFFAOYSA-N
XLogP3.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-bromoethoxy)-2-methyl-5-propan-2-ylphenol?
The IUPAC name of 4-(1-bromoethoxy)-2-methyl-5-propan-2-ylphenol (CID 70417038) is 4-(1-bromoethoxy)-2-methyl-5-propan-2-ylphenol.
What is the SMILES notation for 4-(1-bromoethoxy)-2-methyl-5-propan-2-ylphenol?
The canonical SMILES for 4-(1-bromoethoxy)-2-methyl-5-propan-2-ylphenol is Cc1cc(OC(C)Br)c(C(C)C)cc1O.
What is the InChIKey of 4-(1-bromoethoxy)-2-methyl-5-propan-2-ylphenol?
The InChIKey is ANOIYUUHYNHLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO2/c1-7(2)10-6-11(14)8(3)5-12(10)15-9(4)13/h5-7,9,14H,1-4H3.
What are the key properties of 4-(1-bromoethoxy)-2-methyl-5-propan-2-ylphenol?
4-(1-bromoethoxy)-2-methyl-5-propan-2-ylphenol has a molecular weight of 273.17 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bromoethoxy)-2-methyl-5-propan-2-ylphenol is sourced from PubChem (CID 70417038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).