2-bromo-3-chloro-5-methoxyphenol

C7H6BrClO2 — CID 131293794

IUPAC2-bromo-3-chloro-5-methoxyphenol
SMILESCOc1cc(O)c(Br)c(Cl)c1
InChIInChI=1S/C7H6BrClO2/c1-11-4-2-5(9)7(8)6(10)3-4/h2-3,10H,1H3
InChIKeyZQAIZUJGWDNZCN-UHFFFAOYSA-N
MW237.48 g/mol
LogP2.82
Rot. Bonds1

About 2-bromo-3-chloro-5-methoxyphenol

2-bromo-3-chloro-5-methoxyphenol (PubChem CID 131293794) has the molecular formula C7H6BrClO2 and a molecular weight of 237.48 g/mol. Its IUPAC name is 2-bromo-3-chloro-5-methoxyphenol.

Molecular Properties

Compound Name2-bromo-3-chloro-5-methoxyphenol
PubChem CID131293794
Molecular FormulaC7H6BrClO2
Molecular Weight237.48 g/mol
Exact Mass235.92
IUPAC Name2-bromo-3-chloro-5-methoxyphenol
SMILESCOc1cc(O)c(Br)c(Cl)c1
InChIInChI=1S/C7H6BrClO2/c1-11-4-2-5(9)7(8)6(10)3-4/h2-3,10H,1H3
InChIKeyZQAIZUJGWDNZCN-UHFFFAOYSA-N
XLogP2.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.48
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 84661730
3-chloro-2-methanehydrazonoyl-5-methoxyphenol
CID 168530619
2-chloro-4-methoxy-6-methylphenol
CID 122163446
2-chloro-5-methoxy-3-methylphenol
CID 144544904
2-chloro-6-(2-hydroxypropyl)-4-methoxyphenol
CID 117308664
2-bromo-5-chloro-4-methoxyphenol
CID 84700319
2-[1-(4-bromo-2-chloroanilino)ethyl]-5-methoxyphenol
CID 43168127
5-methoxy-3-methyl-2-propan-2-ylphenol
CID 90394378
2-bromo-5-chloro-6-methoxy-3-methylphenol
CID 84707480
CID 89227961
CID 89227961
4-bromo-3,5-dimethoxyphenol
CID 14339099
2-chloro-6-iodo-4-methoxybenzamide
CID 171003230

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-5-methoxyphenol?
The IUPAC name of 2-bromo-3-chloro-5-methoxyphenol (CID 131293794) is 2-bromo-3-chloro-5-methoxyphenol.
What is the SMILES notation for 2-bromo-3-chloro-5-methoxyphenol?
The canonical SMILES for 2-bromo-3-chloro-5-methoxyphenol is COc1cc(O)c(Br)c(Cl)c1.
What is the InChIKey of 2-bromo-3-chloro-5-methoxyphenol?
The InChIKey is ZQAIZUJGWDNZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClO2/c1-11-4-2-5(9)7(8)6(10)3-4/h2-3,10H,1H3.
What are the key properties of 2-bromo-3-chloro-5-methoxyphenol?
2-bromo-3-chloro-5-methoxyphenol has a molecular weight of 237.48 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-5-methoxyphenol is sourced from PubChem (CID 131293794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).