4-(3-methoxyindazol-2-yl)butan-1-ol

C12H16N2O2 — CID 118717010

IUPAC4-(3-methoxyindazol-2-yl)butan-1-ol
SMILESCOc1c2ccccc2nn1CCCCO
InChIInChI=1S/C12H16N2O2/c1-16-12-10-6-2-3-7-11(10)13-14(12)8-4-5-9-15/h2-3,6-7,15H,4-5,8-9H2,1H3
InChIKeyGWFCYSOFBWYOKF-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.82
Rot. Bonds5

About 4-(3-methoxyindazol-2-yl)butan-1-ol

4-(3-methoxyindazol-2-yl)butan-1-ol (PubChem CID 118717010) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-(3-methoxyindazol-2-yl)butan-1-ol.

Molecular Properties

Compound Name4-(3-methoxyindazol-2-yl)butan-1-ol
PubChem CID118717010
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-(3-methoxyindazol-2-yl)butan-1-ol
SMILESCOc1c2ccccc2nn1CCCCO
InChIInChI=1S/C12H16N2O2/c1-16-12-10-6-2-3-7-11(10)13-14(12)8-4-5-9-15/h2-3,6-7,15H,4-5,8-9H2,1H3
InChIKeyGWFCYSOFBWYOKF-UHFFFAOYSA-N
XLogP1.82
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyindazol-2-yl)butan-1-ol?
The IUPAC name of 4-(3-methoxyindazol-2-yl)butan-1-ol (CID 118717010) is 4-(3-methoxyindazol-2-yl)butan-1-ol.
What is the SMILES notation for 4-(3-methoxyindazol-2-yl)butan-1-ol?
The canonical SMILES for 4-(3-methoxyindazol-2-yl)butan-1-ol is COc1c2ccccc2nn1CCCCO.
What is the InChIKey of 4-(3-methoxyindazol-2-yl)butan-1-ol?
The InChIKey is GWFCYSOFBWYOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-16-12-10-6-2-3-7-11(10)13-14(12)8-4-5-9-15/h2-3,6-7,15H,4-5,8-9H2,1H3.
What are the key properties of 4-(3-methoxyindazol-2-yl)butan-1-ol?
4-(3-methoxyindazol-2-yl)butan-1-ol has a molecular weight of 220.27 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyindazol-2-yl)butan-1-ol is sourced from PubChem (CID 118717010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).