1-(6-bromo-1H-indazol-4-yl)-2-phenylethanol

C15H13BrN2O — CID 155549119

IUPAC1-(6-bromo-1H-indazol-4-yl)-2-phenylethanol
SMILESOC(Cc1ccccc1)c1cc(Br)cc2[nH]ncc12
InChIInChI=1S/C15H13BrN2O/c16-11-7-12(13-9-17-18-14(13)8-11)15(19)6-10-4-2-1-3-5-10/h1-5,7-9,15,19H,6H2,(H,17,18)
InChIKeyWXDMVKATBBLMLN-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.60
Rot. Bonds3

About 1-(6-bromo-1H-indazol-4-yl)-2-phenylethanol

1-(6-bromo-1H-indazol-4-yl)-2-phenylethanol (PubChem CID 155549119) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is 1-(6-bromo-1H-indazol-4-yl)-2-phenylethanol.

Molecular Properties

Compound Name1-(6-bromo-1H-indazol-4-yl)-2-phenylethanol
PubChem CID155549119
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC Name1-(6-bromo-1H-indazol-4-yl)-2-phenylethanol
SMILESOC(Cc1ccccc1)c1cc(Br)cc2[nH]ncc12
InChIInChI=1S/C15H13BrN2O/c16-11-7-12(13-9-17-18-14(13)8-11)15(19)6-10-4-2-1-3-5-10/h1-5,7-9,15,19H,6H2,(H,17,18)
InChIKeyWXDMVKATBBLMLN-UHFFFAOYSA-N
XLogP3.60
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-1H-indazol-4-yl)-2-phenylethanol?
The IUPAC name of 1-(6-bromo-1H-indazol-4-yl)-2-phenylethanol (CID 155549119) is 1-(6-bromo-1H-indazol-4-yl)-2-phenylethanol.
What is the SMILES notation for 1-(6-bromo-1H-indazol-4-yl)-2-phenylethanol?
The canonical SMILES for 1-(6-bromo-1H-indazol-4-yl)-2-phenylethanol is OC(Cc1ccccc1)c1cc(Br)cc2[nH]ncc12.
What is the InChIKey of 1-(6-bromo-1H-indazol-4-yl)-2-phenylethanol?
The InChIKey is WXDMVKATBBLMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O/c16-11-7-12(13-9-17-18-14(13)8-11)15(19)6-10-4-2-1-3-5-10/h1-5,7-9,15,19H,6H2,(H,17,18).
What are the key properties of 1-(6-bromo-1H-indazol-4-yl)-2-phenylethanol?
1-(6-bromo-1H-indazol-4-yl)-2-phenylethanol has a molecular weight of 317.19 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-1H-indazol-4-yl)-2-phenylethanol is sourced from PubChem (CID 155549119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).