2-(4-bromophenyl)-4-methylphenol

C13H11BrO — CID 15169349

IUPAC2-(4-bromophenyl)-4-methylphenol
SMILESCc1ccc(O)c(-c2ccc(Br)cc2)c1
InChIInChI=1S/C13H11BrO/c1-9-2-7-13(15)12(8-9)10-3-5-11(14)6-4-10/h2-8,15H,1H3
InChIKeyGVMGNVLBASQJMY-UHFFFAOYSA-N
MW263.13 g/mol
LogP4.13
Rot. Bonds1

About 2-(4-bromophenyl)-4-methylphenol

2-(4-bromophenyl)-4-methylphenol (PubChem CID 15169349) has the molecular formula C13H11BrO and a molecular weight of 263.13 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-methylphenol.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-methylphenol
PubChem CID15169349
Molecular FormulaC13H11BrO
Molecular Weight263.13 g/mol
Exact Mass262.00
IUPAC Name2-(4-bromophenyl)-4-methylphenol
SMILESCc1ccc(O)c(-c2ccc(Br)cc2)c1
InChIInChI=1S/C13H11BrO/c1-9-2-7-13(15)12(8-9)10-3-5-11(14)6-4-10/h2-8,15H,1H3
InChIKeyGVMGNVLBASQJMY-UHFFFAOYSA-N
XLogP4.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-methylphenol?
The IUPAC name of 2-(4-bromophenyl)-4-methylphenol (CID 15169349) is 2-(4-bromophenyl)-4-methylphenol.
What is the SMILES notation for 2-(4-bromophenyl)-4-methylphenol?
The canonical SMILES for 2-(4-bromophenyl)-4-methylphenol is Cc1ccc(O)c(-c2ccc(Br)cc2)c1.
What is the InChIKey of 2-(4-bromophenyl)-4-methylphenol?
The InChIKey is GVMGNVLBASQJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO/c1-9-2-7-13(15)12(8-9)10-3-5-11(14)6-4-10/h2-8,15H,1H3.
What are the key properties of 2-(4-bromophenyl)-4-methylphenol?
2-(4-bromophenyl)-4-methylphenol has a molecular weight of 263.13 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-methylphenol is sourced from PubChem (CID 15169349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).