2-bromo-3-chloro-4-methoxy-6-propan-2-ylphenol

C10H12BrClO2 — CID 84715036

IUPAC2-bromo-3-chloro-4-methoxy-6-propan-2-ylphenol
SMILESCOc1cc(C(C)C)c(O)c(Br)c1Cl
InChIInChI=1S/C10H12BrClO2/c1-5(2)6-4-7(14-3)9(12)8(11)10(6)13/h4-5,13H,1-3H3
InChIKeyGBRDIFXBMVSFMK-UHFFFAOYSA-N
MW279.56 g/mol
LogP3.94
Rot. Bonds2

About 2-bromo-3-chloro-4-methoxy-6-propan-2-ylphenol

2-bromo-3-chloro-4-methoxy-6-propan-2-ylphenol (PubChem CID 84715036) has the molecular formula C10H12BrClO2 and a molecular weight of 279.56 g/mol. Its IUPAC name is 2-bromo-3-chloro-4-methoxy-6-propan-2-ylphenol.

Molecular Properties

Compound Name2-bromo-3-chloro-4-methoxy-6-propan-2-ylphenol
PubChem CID84715036
Molecular FormulaC10H12BrClO2
Molecular Weight279.56 g/mol
Exact Mass277.97
IUPAC Name2-bromo-3-chloro-4-methoxy-6-propan-2-ylphenol
SMILESCOc1cc(C(C)C)c(O)c(Br)c1Cl
InChIInChI=1S/C10H12BrClO2/c1-5(2)6-4-7(14-3)9(12)8(11)10(6)13/h4-5,13H,1-3H3
InChIKeyGBRDIFXBMVSFMK-UHFFFAOYSA-N
XLogP3.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.56
LogP ≤ 53.94
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-4-methoxy-6-propan-2-ylphenol?
The IUPAC name of 2-bromo-3-chloro-4-methoxy-6-propan-2-ylphenol (CID 84715036) is 2-bromo-3-chloro-4-methoxy-6-propan-2-ylphenol.
What is the SMILES notation for 2-bromo-3-chloro-4-methoxy-6-propan-2-ylphenol?
The canonical SMILES for 2-bromo-3-chloro-4-methoxy-6-propan-2-ylphenol is COc1cc(C(C)C)c(O)c(Br)c1Cl.
What is the InChIKey of 2-bromo-3-chloro-4-methoxy-6-propan-2-ylphenol?
The InChIKey is GBRDIFXBMVSFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClO2/c1-5(2)6-4-7(14-3)9(12)8(11)10(6)13/h4-5,13H,1-3H3.
What are the key properties of 2-bromo-3-chloro-4-methoxy-6-propan-2-ylphenol?
2-bromo-3-chloro-4-methoxy-6-propan-2-ylphenol has a molecular weight of 279.56 g/mol, XLogP of 3.94, 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-4-methoxy-6-propan-2-ylphenol is sourced from PubChem (CID 84715036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).