2-bromo-3-chloro-6-ethyl-4-methoxyphenol

C9H10BrClO2 — CID 84711437

IUPAC2-bromo-3-chloro-6-ethyl-4-methoxyphenol
SMILESCCc1cc(OC)c(Cl)c(Br)c1O
InChIInChI=1S/C9H10BrClO2/c1-3-5-4-6(13-2)8(11)7(10)9(5)12/h4,12H,3H2,1-2H3
InChIKeyMWUNQBQNFGYNBI-UHFFFAOYSA-N
MW265.53 g/mol
LogP3.38
Rot. Bonds2

About 2-bromo-3-chloro-6-ethyl-4-methoxyphenol

2-bromo-3-chloro-6-ethyl-4-methoxyphenol (PubChem CID 84711437) has the molecular formula C9H10BrClO2 and a molecular weight of 265.53 g/mol. Its IUPAC name is 2-bromo-3-chloro-6-ethyl-4-methoxyphenol.

Molecular Properties

Compound Name2-bromo-3-chloro-6-ethyl-4-methoxyphenol
PubChem CID84711437
Molecular FormulaC9H10BrClO2
Molecular Weight265.53 g/mol
Exact Mass263.96
IUPAC Name2-bromo-3-chloro-6-ethyl-4-methoxyphenol
SMILESCCc1cc(OC)c(Cl)c(Br)c1O
InChIInChI=1S/C9H10BrClO2/c1-3-5-4-6(13-2)8(11)7(10)9(5)12/h4,12H,3H2,1-2H3
InChIKeyMWUNQBQNFGYNBI-UHFFFAOYSA-N
XLogP3.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.53
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-6-ethyl-4-methoxyphenol?
The IUPAC name of 2-bromo-3-chloro-6-ethyl-4-methoxyphenol (CID 84711437) is 2-bromo-3-chloro-6-ethyl-4-methoxyphenol.
What is the SMILES notation for 2-bromo-3-chloro-6-ethyl-4-methoxyphenol?
The canonical SMILES for 2-bromo-3-chloro-6-ethyl-4-methoxyphenol is CCc1cc(OC)c(Cl)c(Br)c1O.
What is the InChIKey of 2-bromo-3-chloro-6-ethyl-4-methoxyphenol?
The InChIKey is MWUNQBQNFGYNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClO2/c1-3-5-4-6(13-2)8(11)7(10)9(5)12/h4,12H,3H2,1-2H3.
What are the key properties of 2-bromo-3-chloro-6-ethyl-4-methoxyphenol?
2-bromo-3-chloro-6-ethyl-4-methoxyphenol has a molecular weight of 265.53 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-6-ethyl-4-methoxyphenol is sourced from PubChem (CID 84711437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).