(4-bromo-2-indazol-1-ylphenyl)methanol

C14H11BrN2O — CID 62139618

IUPAC(4-bromo-2-indazol-1-ylphenyl)methanol
SMILESOCc1ccc(Br)cc1-n1ncc2ccccc21
InChIInChI=1S/C14H11BrN2O/c15-12-6-5-11(9-18)14(7-12)17-13-4-2-1-3-10(13)8-16-17/h1-8,18H,9H2
InChIKeyGZOBSMQKBFUIOF-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.28
Rot. Bonds2

About (4-bromo-2-indazol-1-ylphenyl)methanol

(4-bromo-2-indazol-1-ylphenyl)methanol (PubChem CID 62139618) has the molecular formula C14H11BrN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is (4-bromo-2-indazol-1-ylphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-2-indazol-1-ylphenyl)methanol
PubChem CID62139618
Molecular FormulaC14H11BrN2O
Molecular Weight303.16 g/mol
Exact Mass302.01
IUPAC Name(4-bromo-2-indazol-1-ylphenyl)methanol
SMILESOCc1ccc(Br)cc1-n1ncc2ccccc21
InChIInChI=1S/C14H11BrN2O/c15-12-6-5-11(9-18)14(7-12)17-13-4-2-1-3-10(13)8-16-17/h1-8,18H,9H2
InChIKeyGZOBSMQKBFUIOF-UHFFFAOYSA-N
XLogP3.28
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-bromo-2-indazol-1-ylphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-indazol-1-ylphenyl)methanol?
The IUPAC name of (4-bromo-2-indazol-1-ylphenyl)methanol (CID 62139618) is (4-bromo-2-indazol-1-ylphenyl)methanol.
What is the SMILES notation for (4-bromo-2-indazol-1-ylphenyl)methanol?
The canonical SMILES for (4-bromo-2-indazol-1-ylphenyl)methanol is OCc1ccc(Br)cc1-n1ncc2ccccc21.
What is the InChIKey of (4-bromo-2-indazol-1-ylphenyl)methanol?
The InChIKey is GZOBSMQKBFUIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O/c15-12-6-5-11(9-18)14(7-12)17-13-4-2-1-3-10(13)8-16-17/h1-8,18H,9H2.
What are the key properties of (4-bromo-2-indazol-1-ylphenyl)methanol?
(4-bromo-2-indazol-1-ylphenyl)methanol has a molecular weight of 303.16 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-indazol-1-ylphenyl)methanol is sourced from PubChem (CID 62139618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).