2-(bromomethyl)-4-chlorophenol

C7H6BrClO — CID 67740326

IUPAC2-(bromomethyl)-4-chlorophenol
SMILESOc1ccc(Cl)cc1CBr
InChIInChI=1S/C7H6BrClO/c8-4-5-3-6(9)1-2-7(5)10/h1-3,10H,4H2
InChIKeyQTGQEAQYABZNPD-UHFFFAOYSA-N
MW221.48 g/mol
LogP2.94
Rot. Bonds1

About 2-(bromomethyl)-4-chlorophenol

2-(bromomethyl)-4-chlorophenol (PubChem CID 67740326) has the molecular formula C7H6BrClO and a molecular weight of 221.48 g/mol. Its IUPAC name is 2-(bromomethyl)-4-chlorophenol.

Molecular Properties

Compound Name2-(bromomethyl)-4-chlorophenol
PubChem CID67740326
Molecular FormulaC7H6BrClO
Molecular Weight221.48 g/mol
Exact Mass219.93
IUPAC Name2-(bromomethyl)-4-chlorophenol
SMILESOc1ccc(Cl)cc1CBr
InChIInChI=1S/C7H6BrClO/c8-4-5-3-6(9)1-2-7(5)10/h1-3,10H,4H2
InChIKeyQTGQEAQYABZNPD-UHFFFAOYSA-N
XLogP2.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(bromomethyl)-4-chlorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2S)-3-bromo-2-hydroxypropyl]-4-chlorophenol
CID 68964589
1-bromo-2-(bromomethyl)-4-chlorobenzene
CID 11846505
4-chloro-2-[[5-chloro-3-[(5-chloro-2-hydroxyphenyl)methyl]-2-hydroxyphenyl]methyl]-6-[(5-chloro-2-hydroxyphenyl)methyl]phenol
CID 12772656
4-chloro-2-(2-methylprop-2-enyl)phenol
CID 57370913
4-chloro-2-[(dipropylamino)methyl]phenol
CID 82977690
4-chloro-2-(isocyanomethyl)phenol
CID 83480800
(5-chloro-2-hydroxyphenyl)methyl-methanidylazanium
CID 58907459
2-[[amino(methyl)amino]methyl]-4-chlorophenol
CID 130033260
4-chloro-2-[(2-hydroxypropylamino)methyl]phenol
CID 43499358
4-chloro-2-[2-(dipropylamino)ethyl]phenol
CID 10491251
4-chloro-2-(6-chlorohexyl)phenol
CID 139899855
2-(2-aminooxyethyl)-4-chlorophenol
CID 117280923

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-chlorophenol?
The IUPAC name of 2-(bromomethyl)-4-chlorophenol (CID 67740326) is 2-(bromomethyl)-4-chlorophenol.
What is the SMILES notation for 2-(bromomethyl)-4-chlorophenol?
The canonical SMILES for 2-(bromomethyl)-4-chlorophenol is Oc1ccc(Cl)cc1CBr.
What is the InChIKey of 2-(bromomethyl)-4-chlorophenol?
The InChIKey is QTGQEAQYABZNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClO/c8-4-5-3-6(9)1-2-7(5)10/h1-3,10H,4H2.
What are the key properties of 2-(bromomethyl)-4-chlorophenol?
2-(bromomethyl)-4-chlorophenol has a molecular weight of 221.48 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-chlorophenol is sourced from PubChem (CID 67740326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).