2,4-dibromo-3-methyl-6-propan-2-ylphenol

C10H12Br2O — CID 641215

IUPAC2,4-dibromo-3-methyl-6-propan-2-ylphenol
SMILESCc1c(Br)cc(C(C)C)c(O)c1Br
InChIInChI=1S/C10H12Br2O/c1-5(2)7-4-8(11)6(3)9(12)10(7)13/h4-5,13H,1-3H3
InChIKeyQHPNUEGQPHJYFW-UHFFFAOYSA-N
MW308.01 g/mol
LogP4.35
Rot. Bonds1

About 2,4-dibromo-3-methyl-6-propan-2-ylphenol

2,4-dibromo-3-methyl-6-propan-2-ylphenol (PubChem CID 641215) has the molecular formula C10H12Br2O and a molecular weight of 308.01 g/mol. Its IUPAC name is 2,4-dibromo-3-methyl-6-propan-2-ylphenol.

Molecular Properties

Compound Name2,4-dibromo-3-methyl-6-propan-2-ylphenol
PubChem CID641215
Molecular FormulaC10H12Br2O
Molecular Weight308.01 g/mol
Exact Mass305.93
IUPAC Name2,4-dibromo-3-methyl-6-propan-2-ylphenol
SMILESCc1c(Br)cc(C(C)C)c(O)c1Br
InChIInChI=1S/C10H12Br2O/c1-5(2)7-4-8(11)6(3)9(12)10(7)13/h4-5,13H,1-3H3
InChIKeyQHPNUEGQPHJYFW-UHFFFAOYSA-N
XLogP4.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.01
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-3-methyl-6-propan-2-ylphenol?
The IUPAC name of 2,4-dibromo-3-methyl-6-propan-2-ylphenol (CID 641215) is 2,4-dibromo-3-methyl-6-propan-2-ylphenol.
What is the SMILES notation for 2,4-dibromo-3-methyl-6-propan-2-ylphenol?
The canonical SMILES for 2,4-dibromo-3-methyl-6-propan-2-ylphenol is Cc1c(Br)cc(C(C)C)c(O)c1Br.
What is the InChIKey of 2,4-dibromo-3-methyl-6-propan-2-ylphenol?
The InChIKey is QHPNUEGQPHJYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2O/c1-5(2)7-4-8(11)6(3)9(12)10(7)13/h4-5,13H,1-3H3.
What are the key properties of 2,4-dibromo-3-methyl-6-propan-2-ylphenol?
2,4-dibromo-3-methyl-6-propan-2-ylphenol has a molecular weight of 308.01 g/mol, XLogP of 4.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-3-methyl-6-propan-2-ylphenol is sourced from PubChem (CID 641215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).