2-(3-ethoxybenzo[f]indazol-1-yl)benzaldehyde

C20H16N2O2 — CID 132539692

IUPAC2-(3-ethoxybenzo[f]indazol-1-yl)benzaldehyde
SMILESCCOc1nn(-c2ccccc2C=O)c2cc3ccccc3cc12
InChIInChI=1S/C20H16N2O2/c1-2-24-20-17-11-14-7-3-4-8-15(14)12-19(17)22(21-20)18-10-6-5-9-16(18)13-23/h3-13H,2H2,1H3
InChIKeyJCWPRLATWJGCLU-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.39
Rot. Bonds4

About 2-(3-ethoxybenzo[f]indazol-1-yl)benzaldehyde

2-(3-ethoxybenzo[f]indazol-1-yl)benzaldehyde (PubChem CID 132539692) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-(3-ethoxybenzo[f]indazol-1-yl)benzaldehyde.

Molecular Properties

Compound Name2-(3-ethoxybenzo[f]indazol-1-yl)benzaldehyde
PubChem CID132539692
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name2-(3-ethoxybenzo[f]indazol-1-yl)benzaldehyde
SMILESCCOc1nn(-c2ccccc2C=O)c2cc3ccccc3cc12
InChIInChI=1S/C20H16N2O2/c1-2-24-20-17-11-14-7-3-4-8-15(14)12-19(17)22(21-20)18-10-6-5-9-16(18)13-23/h3-13H,2H2,1H3
InChIKeyJCWPRLATWJGCLU-UHFFFAOYSA-N
XLogP4.39
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxybenzo[f]indazol-1-yl)benzaldehyde?
The IUPAC name of 2-(3-ethoxybenzo[f]indazol-1-yl)benzaldehyde (CID 132539692) is 2-(3-ethoxybenzo[f]indazol-1-yl)benzaldehyde.
What is the SMILES notation for 2-(3-ethoxybenzo[f]indazol-1-yl)benzaldehyde?
The canonical SMILES for 2-(3-ethoxybenzo[f]indazol-1-yl)benzaldehyde is CCOc1nn(-c2ccccc2C=O)c2cc3ccccc3cc12.
What is the InChIKey of 2-(3-ethoxybenzo[f]indazol-1-yl)benzaldehyde?
The InChIKey is JCWPRLATWJGCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-2-24-20-17-11-14-7-3-4-8-15(14)12-19(17)22(21-20)18-10-6-5-9-16(18)13-23/h3-13H,2H2,1H3.
What are the key properties of 2-(3-ethoxybenzo[f]indazol-1-yl)benzaldehyde?
2-(3-ethoxybenzo[f]indazol-1-yl)benzaldehyde has a molecular weight of 316.36 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxybenzo[f]indazol-1-yl)benzaldehyde is sourced from PubChem (CID 132539692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).