4-(2-bromoethyl)-3-methylphenol

C9H11BrO — CID 154476317

IUPAC4-(2-bromoethyl)-3-methylphenol
SMILESCc1cc(O)ccc1CCBr
InChIInChI=1S/C9H11BrO/c1-7-6-9(11)3-2-8(7)4-5-10/h2-3,6,11H,4-5H2,1H3
InChIKeyBLMKPKNKKOXMSA-UHFFFAOYSA-N
MW215.09 g/mol
LogP2.64
Rot. Bonds2

About 4-(2-bromoethyl)-3-methylphenol

4-(2-bromoethyl)-3-methylphenol (PubChem CID 154476317) has the molecular formula C9H11BrO and a molecular weight of 215.09 g/mol. Its IUPAC name is 4-(2-bromoethyl)-3-methylphenol.

Molecular Properties

Compound Name4-(2-bromoethyl)-3-methylphenol
PubChem CID154476317
Molecular FormulaC9H11BrO
Molecular Weight215.09 g/mol
Exact Mass214.00
IUPAC Name4-(2-bromoethyl)-3-methylphenol
SMILESCc1cc(O)ccc1CCBr
InChIInChI=1S/C9H11BrO/c1-7-6-9(11)3-2-8(7)4-5-10/h2-3,6,11H,4-5H2,1H3
InChIKeyBLMKPKNKKOXMSA-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

4-(3-hydroxypropyl)-3-methylphenol
CID 117276402
1-(2-bromoethyl)-4-fluoro-2-methylbenzene
CID 62802439
3-methyl-4-octylphenol
CID 67863636
4-hex-3-ynyl-3-methylphenol
CID 83923359
3-methyl-4-(14-methylsulfanyltetradecyl)phenol
CID 159002839
4-(2-bromoethyl)-2,3-dimethylphenol
CID 171479549
4-(ethylsulfonylmethyl)-3-methylphenol
CID 117219414
1,2-bis(2-bromoethyl)-4-methylbenzene
CID 54559058
2-(2-bromoethyl)-6-methylphenol
CID 21464053
2-[4-(2-bromoethyl)-2-methylphenyl]acetic acid
CID 176900475
4-(2-ethoxyprop-2-enyl)-3-methylphenol
CID 141087727
3,4-dimethylphenol;hydrofluoride
CID 163210270

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoethyl)-3-methylphenol?
The IUPAC name of 4-(2-bromoethyl)-3-methylphenol (CID 154476317) is 4-(2-bromoethyl)-3-methylphenol.
What is the SMILES notation for 4-(2-bromoethyl)-3-methylphenol?
The canonical SMILES for 4-(2-bromoethyl)-3-methylphenol is Cc1cc(O)ccc1CCBr.
What is the InChIKey of 4-(2-bromoethyl)-3-methylphenol?
The InChIKey is BLMKPKNKKOXMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO/c1-7-6-9(11)3-2-8(7)4-5-10/h2-3,6,11H,4-5H2,1H3.
What are the key properties of 4-(2-bromoethyl)-3-methylphenol?
4-(2-bromoethyl)-3-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 4-(2-bromoethyl)-3-methylphenol is sourced from PubChem (CID 154476317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).