1-(1-phenylindazol-5-yl)propan-2-ol

C16H16N2O — CID 69178266

IUPAC1-(1-phenylindazol-5-yl)propan-2-ol
SMILESCC(O)Cc1ccc2c(cnn2-c2ccccc2)c1
InChIInChI=1S/C16H16N2O/c1-12(19)9-13-7-8-16-14(10-13)11-17-18(16)15-5-3-2-4-6-15/h2-8,10-12,19H,9H2,1H3
InChIKeyNGAIWPCDWQYVRA-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.95
Rot. Bonds3

About 1-(1-phenylindazol-5-yl)propan-2-ol

1-(1-phenylindazol-5-yl)propan-2-ol (PubChem CID 69178266) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-(1-phenylindazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1-phenylindazol-5-yl)propan-2-ol
PubChem CID69178266
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name1-(1-phenylindazol-5-yl)propan-2-ol
SMILESCC(O)Cc1ccc2c(cnn2-c2ccccc2)c1
InChIInChI=1S/C16H16N2O/c1-12(19)9-13-7-8-16-14(10-13)11-17-18(16)15-5-3-2-4-6-15/h2-8,10-12,19H,9H2,1H3
InChIKeyNGAIWPCDWQYVRA-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylindazol-5-yl)propan-2-ol?
The IUPAC name of 1-(1-phenylindazol-5-yl)propan-2-ol (CID 69178266) is 1-(1-phenylindazol-5-yl)propan-2-ol.
What is the SMILES notation for 1-(1-phenylindazol-5-yl)propan-2-ol?
The canonical SMILES for 1-(1-phenylindazol-5-yl)propan-2-ol is CC(O)Cc1ccc2c(cnn2-c2ccccc2)c1.
What is the InChIKey of 1-(1-phenylindazol-5-yl)propan-2-ol?
The InChIKey is NGAIWPCDWQYVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-12(19)9-13-7-8-16-14(10-13)11-17-18(16)15-5-3-2-4-6-15/h2-8,10-12,19H,9H2,1H3.
What are the key properties of 1-(1-phenylindazol-5-yl)propan-2-ol?
1-(1-phenylindazol-5-yl)propan-2-ol has a molecular weight of 252.32 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylindazol-5-yl)propan-2-ol is sourced from PubChem (CID 69178266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).