4-bromo-2,6-diphenylphenol

C18H13BrO — CID 11147454

IUPAC4-bromo-2,6-diphenylphenol
SMILESOc1c(-c2ccccc2)cc(Br)cc1-c1ccccc1
InChIInChI=1S/C18H13BrO/c19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14/h1-12,20H
InChIKeyIFIDCVMUVQKUIS-UHFFFAOYSA-N
MW325.21 g/mol
LogP5.49
Rot. Bonds2

About 4-bromo-2,6-diphenylphenol

4-bromo-2,6-diphenylphenol (PubChem CID 11147454) has the molecular formula C18H13BrO and a molecular weight of 325.21 g/mol. Its IUPAC name is 4-bromo-2,6-diphenylphenol.

Molecular Properties

Compound Name4-bromo-2,6-diphenylphenol
PubChem CID11147454
Molecular FormulaC18H13BrO
Molecular Weight325.21 g/mol
Exact Mass324.01
IUPAC Name4-bromo-2,6-diphenylphenol
SMILESOc1c(-c2ccccc2)cc(Br)cc1-c1ccccc1
InChIInChI=1S/C18H13BrO/c19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14/h1-12,20H
InChIKeyIFIDCVMUVQKUIS-UHFFFAOYSA-N
XLogP5.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.21
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-diphenylphenol?
The IUPAC name of 4-bromo-2,6-diphenylphenol (CID 11147454) is 4-bromo-2,6-diphenylphenol.
What is the SMILES notation for 4-bromo-2,6-diphenylphenol?
The canonical SMILES for 4-bromo-2,6-diphenylphenol is Oc1c(-c2ccccc2)cc(Br)cc1-c1ccccc1.
What is the InChIKey of 4-bromo-2,6-diphenylphenol?
The InChIKey is IFIDCVMUVQKUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrO/c19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14/h1-12,20H.
What are the key properties of 4-bromo-2,6-diphenylphenol?
4-bromo-2,6-diphenylphenol has a molecular weight of 325.21 g/mol, XLogP of 5.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-diphenylphenol is sourced from PubChem (CID 11147454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).