2-bromo-5-chloro-6-methoxy-3-methylphenol

C8H8BrClO2 — CID 84707480

IUPAC2-bromo-5-chloro-6-methoxy-3-methylphenol
SMILESCOc1c(Cl)cc(C)c(Br)c1O
InChIInChI=1S/C8H8BrClO2/c1-4-3-5(10)8(12-2)7(11)6(4)9/h3,11H,1-2H3
InChIKeyDSQFNSSOOAXMSZ-UHFFFAOYSA-N
MW251.51 g/mol
LogP3.13
Rot. Bonds1

About 2-bromo-5-chloro-6-methoxy-3-methylphenol

2-bromo-5-chloro-6-methoxy-3-methylphenol (PubChem CID 84707480) has the molecular formula C8H8BrClO2 and a molecular weight of 251.51 g/mol. Its IUPAC name is 2-bromo-5-chloro-6-methoxy-3-methylphenol.

Molecular Properties

Compound Name2-bromo-5-chloro-6-methoxy-3-methylphenol
PubChem CID84707480
Molecular FormulaC8H8BrClO2
Molecular Weight251.51 g/mol
Exact Mass249.94
IUPAC Name2-bromo-5-chloro-6-methoxy-3-methylphenol
SMILESCOc1c(Cl)cc(C)c(Br)c1O
InChIInChI=1S/C8H8BrClO2/c1-4-3-5(10)8(12-2)7(11)6(4)9/h3,11H,1-2H3
InChIKeyDSQFNSSOOAXMSZ-UHFFFAOYSA-N
XLogP3.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.51
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-5-chloro-6-methoxy-3-methylphenol 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

4-bromo-1-chloro-2,3-dimethoxy-5-methylbenzene
CID 84711447
2-bromo-5,6-dimethoxy-3-methylphenol
CID 84705992
3-bromo-2-methoxy-4,6-dimethylphenol
CID 84694160
2,6-dibromo-3,5-dimethylphenol
CID 10660357
2-bromo-5-methoxy-3,6-dimethylphenol
CID 84694171
2,4-dibromo-3-methoxy-6-methylphenol
CID 11822564
2-(2-aminooxyethyl)-5-chloro-6-methoxy-3-methylphenol
CID 117335463
3-bromo-4-chloro-2,6-dimethylphenol
CID 86152759
3-chloro-5-fluoro-2-methoxy-6-methylphenol
CID 84662913
1-bromo-5-chloro-3,4-dimethoxy-2-methylbenzene
CID 84711440
3-bromo-1-chloro-5-fluoro-2-methoxy-4-methylbenzene
CID 84707952
5-chloro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxy-3-methylphenol
CID 117358714

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-6-methoxy-3-methylphenol?
The IUPAC name of 2-bromo-5-chloro-6-methoxy-3-methylphenol (CID 84707480) is 2-bromo-5-chloro-6-methoxy-3-methylphenol.
What is the SMILES notation for 2-bromo-5-chloro-6-methoxy-3-methylphenol?
The canonical SMILES for 2-bromo-5-chloro-6-methoxy-3-methylphenol is COc1c(Cl)cc(C)c(Br)c1O.
What is the InChIKey of 2-bromo-5-chloro-6-methoxy-3-methylphenol?
The InChIKey is DSQFNSSOOAXMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClO2/c1-4-3-5(10)8(12-2)7(11)6(4)9/h3,11H,1-2H3.
What are the key properties of 2-bromo-5-chloro-6-methoxy-3-methylphenol?
2-bromo-5-chloro-6-methoxy-3-methylphenol has a molecular weight of 251.51 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-6-methoxy-3-methylphenol is sourced from PubChem (CID 84707480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).