2-(4-indazol-2-ylphenyl)propan-1-ol

C16H16N2O — CID 3067334

IUPAC2-(4-indazol-2-ylphenyl)propan-1-ol
SMILESCC(CO)c1ccc(-n2cc3ccccc3n2)cc1
InChIInChI=1S/C16H16N2O/c1-12(11-19)13-6-8-15(9-7-13)18-10-14-4-2-3-5-16(14)17-18/h2-10,12,19H,11H2,1H3
InChIKeyDRCJVHCLTYEWDV-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.12
Rot. Bonds3

About 2-(4-indazol-2-ylphenyl)propan-1-ol

2-(4-indazol-2-ylphenyl)propan-1-ol (PubChem CID 3067334) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(4-indazol-2-ylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(4-indazol-2-ylphenyl)propan-1-ol
PubChem CID3067334
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name2-(4-indazol-2-ylphenyl)propan-1-ol
SMILESCC(CO)c1ccc(-n2cc3ccccc3n2)cc1
InChIInChI=1S/C16H16N2O/c1-12(11-19)13-6-8-15(9-7-13)18-10-14-4-2-3-5-16(14)17-18/h2-10,12,19H,11H2,1H3
InChIKeyDRCJVHCLTYEWDV-UHFFFAOYSA-N
XLogP3.12
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-indazol-2-ylphenyl)propan-1-ol?
The IUPAC name of 2-(4-indazol-2-ylphenyl)propan-1-ol (CID 3067334) is 2-(4-indazol-2-ylphenyl)propan-1-ol.
What is the SMILES notation for 2-(4-indazol-2-ylphenyl)propan-1-ol?
The canonical SMILES for 2-(4-indazol-2-ylphenyl)propan-1-ol is CC(CO)c1ccc(-n2cc3ccccc3n2)cc1.
What is the InChIKey of 2-(4-indazol-2-ylphenyl)propan-1-ol?
The InChIKey is DRCJVHCLTYEWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-12(11-19)13-6-8-15(9-7-13)18-10-14-4-2-3-5-16(14)17-18/h2-10,12,19H,11H2,1H3.
What are the key properties of 2-(4-indazol-2-ylphenyl)propan-1-ol?
2-(4-indazol-2-ylphenyl)propan-1-ol has a molecular weight of 252.32 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-indazol-2-ylphenyl)propan-1-ol is sourced from PubChem (CID 3067334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).