2-(2-bromoethyl)-6-methylphenol

C9H11BrO — CID 21464053

IUPAC2-(2-bromoethyl)-6-methylphenol
SMILESCc1cccc(CCBr)c1O
InChIInChI=1S/C9H11BrO/c1-7-3-2-4-8(5-6-10)9(7)11/h2-4,11H,5-6H2,1H3
InChIKeyHFXMMXQVQKXWGQ-UHFFFAOYSA-N
MW215.09 g/mol
LogP2.64
Rot. Bonds2

About 2-(2-bromoethyl)-6-methylphenol

2-(2-bromoethyl)-6-methylphenol (PubChem CID 21464053) has the molecular formula C9H11BrO and a molecular weight of 215.09 g/mol. Its IUPAC name is 2-(2-bromoethyl)-6-methylphenol.

Molecular Properties

Compound Name2-(2-bromoethyl)-6-methylphenol
PubChem CID21464053
Molecular FormulaC9H11BrO
Molecular Weight215.09 g/mol
Exact Mass214.00
IUPAC Name2-(2-bromoethyl)-6-methylphenol
SMILESCc1cccc(CCBr)c1O
InChIInChI=1S/C9H11BrO/c1-7-3-2-4-8(5-6-10)9(7)11/h2-4,11H,5-6H2,1H3
InChIKeyHFXMMXQVQKXWGQ-UHFFFAOYSA-N
XLogP2.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-hydroxy-3-methylphenyl)methyl]-6-methylphenol
CID 164967326
2-[[2-hydroxy-3-[(2-hydroxy-3-methylphenyl)methyl]phenyl]methyl]-6-methylphenol
CID 20768179
2-methyl-6-undecylphenol
CID 174998801
2-(2,2-dimethylpropyl)-6-methylphenol
CID 22013258
2-[[bis[(2-hydroxy-3-methylphenyl)methyl]-methylsilyl]methyl]-6-methylphenol
CID 71653781
tris[(2-hydroxy-3-methylphenyl)methyl]-methylazanium
CID 140618052
butane;2,6-dimethylphenol;ethane
CID 143018459
2-butyl-6-methylphenol;2-methylaniline
CID 70417016
4-[(2-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol
CID 22278094
2-methyl-6-prop-2-ynylphenol
CID 19103109
2-[(4-hydroxyphenyl)methyl]-6-methylphenol
CID 91146240
2-[(E)-3-chloroprop-2-enyl]-6-methylphenol
CID 13459628

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethyl)-6-methylphenol?
The IUPAC name of 2-(2-bromoethyl)-6-methylphenol (CID 21464053) is 2-(2-bromoethyl)-6-methylphenol.
What is the SMILES notation for 2-(2-bromoethyl)-6-methylphenol?
The canonical SMILES for 2-(2-bromoethyl)-6-methylphenol is Cc1cccc(CCBr)c1O.
What is the InChIKey of 2-(2-bromoethyl)-6-methylphenol?
The InChIKey is HFXMMXQVQKXWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO/c1-7-3-2-4-8(5-6-10)9(7)11/h2-4,11H,5-6H2,1H3.
What are the key properties of 2-(2-bromoethyl)-6-methylphenol?
2-(2-bromoethyl)-6-methylphenol has a molecular weight of 215.09 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethyl)-6-methylphenol is sourced from PubChem (CID 21464053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).