4-[(5-bromo-2-pyridinyl)-(4-hydroxyphenyl)methyl]phenol

C18H14BrNO2 — CID 163184742

IUPAC4-[(5-bromo-2-pyridinyl)-(4-hydroxyphenyl)methyl]phenol
SMILESOc1ccc(C(c2ccc(O)cc2)c2ccc(Br)cn2)cc1
InChIInChI=1S/C18H14BrNO2/c19-14-5-10-17(20-11-14)18(12-1-6-15(21)7-2-12)13-3-8-16(22)9-4-13/h1-11,18,21-22H
InChIKeyBOOKMXUMQATDEB-UHFFFAOYSA-N
MW356.22 g/mol
LogP4.44
Rot. Bonds3

About 4-[(5-bromo-2-pyridinyl)-(4-hydroxyphenyl)methyl]phenol

4-[(5-bromo-2-pyridinyl)-(4-hydroxyphenyl)methyl]phenol (PubChem CID 163184742) has the molecular formula C18H14BrNO2 and a molecular weight of 356.22 g/mol. Its IUPAC name is 4-[(5-bromo-2-pyridinyl)-(4-hydroxyphenyl)methyl]phenol.

Molecular Properties

Compound Name4-[(5-bromo-2-pyridinyl)-(4-hydroxyphenyl)methyl]phenol
PubChem CID163184742
Molecular FormulaC18H14BrNO2
Molecular Weight356.22 g/mol
Exact Mass355.02
IUPAC Name4-[(5-bromo-2-pyridinyl)-(4-hydroxyphenyl)methyl]phenol
SMILESOc1ccc(C(c2ccc(O)cc2)c2ccc(Br)cn2)cc1
InChIInChI=1S/C18H14BrNO2/c19-14-5-10-17(20-11-14)18(12-1-6-15(21)7-2-12)13-3-8-16(22)9-4-13/h1-11,18,21-22H
InChIKeyBOOKMXUMQATDEB-UHFFFAOYSA-N
XLogP4.44
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-pyridinyl)-(4-hydroxyphenyl)methyl]phenol?
The IUPAC name of 4-[(5-bromo-2-pyridinyl)-(4-hydroxyphenyl)methyl]phenol (CID 163184742) is 4-[(5-bromo-2-pyridinyl)-(4-hydroxyphenyl)methyl]phenol.
What is the SMILES notation for 4-[(5-bromo-2-pyridinyl)-(4-hydroxyphenyl)methyl]phenol?
The canonical SMILES for 4-[(5-bromo-2-pyridinyl)-(4-hydroxyphenyl)methyl]phenol is Oc1ccc(C(c2ccc(O)cc2)c2ccc(Br)cn2)cc1.
What is the InChIKey of 4-[(5-bromo-2-pyridinyl)-(4-hydroxyphenyl)methyl]phenol?
The InChIKey is BOOKMXUMQATDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO2/c19-14-5-10-17(20-11-14)18(12-1-6-15(21)7-2-12)13-3-8-16(22)9-4-13/h1-11,18,21-22H.
What are the key properties of 4-[(5-bromo-2-pyridinyl)-(4-hydroxyphenyl)methyl]phenol?
4-[(5-bromo-2-pyridinyl)-(4-hydroxyphenyl)methyl]phenol has a molecular weight of 356.22 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-pyridinyl)-(4-hydroxyphenyl)methyl]phenol is sourced from PubChem (CID 163184742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).