4-(2-bromoethyl)-2,3-dimethylphenol

C10H13BrO — CID 171479549

IUPAC4-(2-bromoethyl)-2,3-dimethylphenol
SMILESCc1c(O)ccc(CCBr)c1C
InChIInChI=1S/C10H13BrO/c1-7-8(2)10(12)4-3-9(7)5-6-11/h3-4,12H,5-6H2,1-2H3
InChIKeyRJZALQJVIMVJJL-UHFFFAOYSA-N
MW229.12 g/mol
LogP2.95
Rot. Bonds2

About 4-(2-bromoethyl)-2,3-dimethylphenol

4-(2-bromoethyl)-2,3-dimethylphenol (PubChem CID 171479549) has the molecular formula C10H13BrO and a molecular weight of 229.12 g/mol. Its IUPAC name is 4-(2-bromoethyl)-2,3-dimethylphenol.

Molecular Properties

Compound Name4-(2-bromoethyl)-2,3-dimethylphenol
PubChem CID171479549
Molecular FormulaC10H13BrO
Molecular Weight229.12 g/mol
Exact Mass228.01
IUPAC Name4-(2-bromoethyl)-2,3-dimethylphenol
SMILESCc1c(O)ccc(CCBr)c1C
InChIInChI=1S/C10H13BrO/c1-7-8(2)10(12)4-3-9(7)5-6-11/h3-4,12H,5-6H2,1-2H3
InChIKeyRJZALQJVIMVJJL-UHFFFAOYSA-N
XLogP2.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 52.95
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

4-(2-aminooxyethyl)-2,3-dimethylphenol
CID 117278812
2,3-dimethylbenzene-1,4-diol;hydrate
CID 172699169
1,2-bis(2-bromoethyl)-4-methylbenzene
CID 54559058
4-(2-hydroxypropyl)-2,3-dimethylphenol
CID 117278408
4-(2-bromoethyl)-3-methylphenol
CID 154476317
2-(2-bromoethyl)-6-methylphenol
CID 21464053
4-(aminomethyl)-2-methylbenzene-1,3-diol
CID 82502588
1-(2-bromoethyl)-5-ethyl-2,3,4-trimethylbenzene
CID 163871132
ethanol;2,3,4-trimethylphenol
CID 162191958
2-[3-(4-hydroxy-2,3-dimethylphenyl)propyl]benzene-1,4-diol;4-[3-(4-methoxy-2,3-dimethylphenyl)propyl]benzene-1,3-diol
CID 161189941
4-(aminomethyl)-2-bromo-3-methylphenol
CID 84784548
1-(2-bromoethyl)-4-fluoro-2-methylbenzene
CID 62802439

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoethyl)-2,3-dimethylphenol?
The IUPAC name of 4-(2-bromoethyl)-2,3-dimethylphenol (CID 171479549) is 4-(2-bromoethyl)-2,3-dimethylphenol.
What is the SMILES notation for 4-(2-bromoethyl)-2,3-dimethylphenol?
The canonical SMILES for 4-(2-bromoethyl)-2,3-dimethylphenol is Cc1c(O)ccc(CCBr)c1C.
What is the InChIKey of 4-(2-bromoethyl)-2,3-dimethylphenol?
The InChIKey is RJZALQJVIMVJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO/c1-7-8(2)10(12)4-3-9(7)5-6-11/h3-4,12H,5-6H2,1-2H3.
What are the key properties of 4-(2-bromoethyl)-2,3-dimethylphenol?
4-(2-bromoethyl)-2,3-dimethylphenol has a molecular weight of 229.12 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoethyl)-2,3-dimethylphenol is sourced from PubChem (CID 171479549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).