3-(4-methoxyphenyl)-1-methylbenzo[f]indazole

C19H16N2O — CID 21418374

IUPAC3-(4-methoxyphenyl)-1-methylbenzo[f]indazole
SMILESCOc1ccc(-c2nn(C)c3cc4ccccc4cc23)cc1
InChIInChI=1S/C19H16N2O/c1-21-18-12-15-6-4-3-5-14(15)11-17(18)19(20-21)13-7-9-16(22-2)10-8-13/h3-12H,1-2H3
InChIKeyLQEBQJHGHUMEFD-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.40
Rot. Bonds2

About 3-(4-methoxyphenyl)-1-methylbenzo[f]indazole

3-(4-methoxyphenyl)-1-methylbenzo[f]indazole (PubChem CID 21418374) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-methylbenzo[f]indazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-methylbenzo[f]indazole
PubChem CID21418374
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name3-(4-methoxyphenyl)-1-methylbenzo[f]indazole
SMILESCOc1ccc(-c2nn(C)c3cc4ccccc4cc23)cc1
InChIInChI=1S/C19H16N2O/c1-21-18-12-15-6-4-3-5-14(15)11-17(18)19(20-21)13-7-9-16(22-2)10-8-13/h3-12H,1-2H3
InChIKeyLQEBQJHGHUMEFD-UHFFFAOYSA-N
XLogP4.40
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-methylbenzo[f]indazole?
The IUPAC name of 3-(4-methoxyphenyl)-1-methylbenzo[f]indazole (CID 21418374) is 3-(4-methoxyphenyl)-1-methylbenzo[f]indazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-methylbenzo[f]indazole?
The canonical SMILES for 3-(4-methoxyphenyl)-1-methylbenzo[f]indazole is COc1ccc(-c2nn(C)c3cc4ccccc4cc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-methylbenzo[f]indazole?
The InChIKey is LQEBQJHGHUMEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c1-21-18-12-15-6-4-3-5-14(15)11-17(18)19(20-21)13-7-9-16(22-2)10-8-13/h3-12H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-1-methylbenzo[f]indazole?
3-(4-methoxyphenyl)-1-methylbenzo[f]indazole has a molecular weight of 288.35 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-methylbenzo[f]indazole is sourced from PubChem (CID 21418374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).