3-bromo-2-chloro-5-methylphenol

C7H6BrClO — CID 131595498

IUPAC3-bromo-2-chloro-5-methylphenol
SMILESCc1cc(O)c(Cl)c(Br)c1
InChIInChI=1S/C7H6BrClO/c1-4-2-5(8)7(9)6(10)3-4/h2-3,10H,1H3
InChIKeyZDCVJVKRKVDUOO-UHFFFAOYSA-N
MW221.48 g/mol
LogP3.12
Rot. Bonds

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

3-bromo-2-chloro-5-methylphenol (PubChem CID 131595498) has the molecular formula C7H6BrClO and a molecular weight of 221.48 g/mol. Its IUPAC name is 3-bromo-2-chloro-5-methylphenol.

Molecular Properties

Compound Name3-bromo-2-chloro-5-methylphenol
PubChem CID131595498
Molecular FormulaC7H6BrClO
Molecular Weight221.48 g/mol
Exact Mass219.93
IUPAC Name3-bromo-2-chloro-5-methylphenol
SMILESCc1cc(O)c(Cl)c(Br)c1
InChIInChI=1S/C7H6BrClO/c1-4-2-5(8)7(9)6(10)3-4/h2-3,10H,1H3
InChIKeyZDCVJVKRKVDUOO-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.48
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-5-methylphenol?
The IUPAC name of 3-bromo-2-chloro-5-methylphenol (CID 131595498) is 3-bromo-2-chloro-5-methylphenol.
What is the SMILES notation for 3-bromo-2-chloro-5-methylphenol?
The canonical SMILES for 3-bromo-2-chloro-5-methylphenol is Cc1cc(O)c(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-2-chloro-5-methylphenol?
The InChIKey is ZDCVJVKRKVDUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClO/c1-4-2-5(8)7(9)6(10)3-4/h2-3,10H,1H3.
What are the key properties of 3-bromo-2-chloro-5-methylphenol?
3-bromo-2-chloro-5-methylphenol has a molecular weight of 221.48 g/mol, XLogP of 3.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-5-methylphenol is sourced from PubChem (CID 131595498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).