2-bromo-6-(2-hydroxypropan-2-yl)-3-methylphenol

C10H13BrO2 — CID 84704863

IUPAC2-bromo-6-(2-hydroxypropan-2-yl)-3-methylphenol
SMILESCc1ccc(C(C)(C)O)c(O)c1Br
InChIInChI=1S/C10H13BrO2/c1-6-4-5-7(10(2,3)13)9(12)8(6)11/h4-5,12-13H,1-3H3
InChIKeyVLXCWZWGQAFWTQ-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.69
Rot. Bonds1

About 2-bromo-6-(2-hydroxypropan-2-yl)-3-methylphenol

2-bromo-6-(2-hydroxypropan-2-yl)-3-methylphenol (PubChem CID 84704863) has the molecular formula C10H13BrO2 and a molecular weight of 245.12 g/mol. Its IUPAC name is 2-bromo-6-(2-hydroxypropan-2-yl)-3-methylphenol.

Molecular Properties

Compound Name2-bromo-6-(2-hydroxypropan-2-yl)-3-methylphenol
PubChem CID84704863
Molecular FormulaC10H13BrO2
Molecular Weight245.12 g/mol
Exact Mass244.01
IUPAC Name2-bromo-6-(2-hydroxypropan-2-yl)-3-methylphenol
SMILESCc1ccc(C(C)(C)O)c(O)c1Br
InChIInChI=1S/C10H13BrO2/c1-6-4-5-7(10(2,3)13)9(12)8(6)11/h4-5,12-13H,1-3H3
InChIKeyVLXCWZWGQAFWTQ-UHFFFAOYSA-N
XLogP2.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(2-hydroxypropan-2-yl)-3-methylphenol?
The IUPAC name of 2-bromo-6-(2-hydroxypropan-2-yl)-3-methylphenol (CID 84704863) is 2-bromo-6-(2-hydroxypropan-2-yl)-3-methylphenol.
What is the SMILES notation for 2-bromo-6-(2-hydroxypropan-2-yl)-3-methylphenol?
The canonical SMILES for 2-bromo-6-(2-hydroxypropan-2-yl)-3-methylphenol is Cc1ccc(C(C)(C)O)c(O)c1Br.
What is the InChIKey of 2-bromo-6-(2-hydroxypropan-2-yl)-3-methylphenol?
The InChIKey is VLXCWZWGQAFWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO2/c1-6-4-5-7(10(2,3)13)9(12)8(6)11/h4-5,12-13H,1-3H3.
What are the key properties of 2-bromo-6-(2-hydroxypropan-2-yl)-3-methylphenol?
2-bromo-6-(2-hydroxypropan-2-yl)-3-methylphenol has a molecular weight of 245.12 g/mol, XLogP of 2.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(2-hydroxypropan-2-yl)-3-methylphenol is sourced from PubChem (CID 84704863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).