4-(2-bromoethoxy)-2,3,6-trimethylphenol

C11H15BrO2 — CID 10539183

IUPAC4-(2-bromoethoxy)-2,3,6-trimethylphenol
SMILESCc1cc(OCCBr)c(C)c(C)c1O
InChIInChI=1S/C11H15BrO2/c1-7-6-10(14-5-4-12)8(2)9(3)11(7)13/h6,13H,4-5H2,1-3H3
InChIKeyJJJWFUGJDADEOM-UHFFFAOYSA-N
MW259.14 g/mol
LogP3.09
Rot. Bonds3

About 4-(2-bromoethoxy)-2,3,6-trimethylphenol

4-(2-bromoethoxy)-2,3,6-trimethylphenol (PubChem CID 10539183) has the molecular formula C11H15BrO2 and a molecular weight of 259.14 g/mol. Its IUPAC name is 4-(2-bromoethoxy)-2,3,6-trimethylphenol.

Molecular Properties

Compound Name4-(2-bromoethoxy)-2,3,6-trimethylphenol
PubChem CID10539183
Molecular FormulaC11H15BrO2
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name4-(2-bromoethoxy)-2,3,6-trimethylphenol
SMILESCc1cc(OCCBr)c(C)c(C)c1O
InChIInChI=1S/C11H15BrO2/c1-7-6-10(14-5-4-12)8(2)9(3)11(7)13/h6,13H,4-5H2,1-3H3
InChIKeyJJJWFUGJDADEOM-UHFFFAOYSA-N
XLogP3.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[5-(2-bromoethoxy)pentoxy]-2,3,6-trimethylphenol
CID 139840535
4-(7-hydroxyheptoxy)-2,3,6-trimethylphenol
CID 10659422
4-[2-(2-hydroxyethylsulfanyl)ethoxy]-2,3,6-trimethylphenol
CID 139840536
2,5-dibutoxy-3,6-dimethylphenol
CID 90435242
2-(4-hydroxy-2,3,5-trimethylphenoxy)propanoic acid
CID 4129569
1-(3-bromopropoxy)-2,4,5-trimethylbenzene
CID 82089154
1,2,3,4-tetramethyl-5-propoxybenzene
CID 143028127
4-bromo-1-(2-bromoethoxy)-2-methylbenzene
CID 63216698
4-(benzhydrylsilylmethoxy)-2,3,6-trimethylphenol
CID 159530954
4-[2-(4-benzhydrylpiperazin-1-yl)ethoxy]-2,3,6-trimethylphenol
CID 10526644
4-[2-[2-(1,4-diazepan-1-yl)ethoxy]ethoxy]-2,3,6-trimethylphenol
CID 10853299
4-[2-methoxy-3-(propan-2-ylamino)propoxy]-2,3,6-trimethylphenol
CID 167295370

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoethoxy)-2,3,6-trimethylphenol?
The IUPAC name of 4-(2-bromoethoxy)-2,3,6-trimethylphenol (CID 10539183) is 4-(2-bromoethoxy)-2,3,6-trimethylphenol.
What is the SMILES notation for 4-(2-bromoethoxy)-2,3,6-trimethylphenol?
The canonical SMILES for 4-(2-bromoethoxy)-2,3,6-trimethylphenol is Cc1cc(OCCBr)c(C)c(C)c1O.
What is the InChIKey of 4-(2-bromoethoxy)-2,3,6-trimethylphenol?
The InChIKey is JJJWFUGJDADEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO2/c1-7-6-10(14-5-4-12)8(2)9(3)11(7)13/h6,13H,4-5H2,1-3H3.
What are the key properties of 4-(2-bromoethoxy)-2,3,6-trimethylphenol?
4-(2-bromoethoxy)-2,3,6-trimethylphenol has a molecular weight of 259.14 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoethoxy)-2,3,6-trimethylphenol is sourced from PubChem (CID 10539183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).