3-(4-fluorophenyl)-7-methoxy-4,5-dihydro-1H-benzo[g]indazole

C18H15FN2O — CID 71472821

IUPAC3-(4-fluorophenyl)-7-methoxy-4,5-dihydro-1H-benzo[g]indazole
SMILESCOc1ccc2c(c1)CCc1c(-c3ccc(F)cc3)n[nH]c1-2
InChIInChI=1S/C18H15FN2O/c1-22-14-7-9-15-12(10-14)4-8-16-17(20-21-18(15)16)11-2-5-13(19)6-3-11/h2-3,5-7,9-10H,4,8H2,1H3,(H,20,21)
InChIKeyHZTVUVSCMMAIBO-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.99
Rot. Bonds2

About 3-(4-fluorophenyl)-7-methoxy-4,5-dihydro-1H-benzo[g]indazole

3-(4-fluorophenyl)-7-methoxy-4,5-dihydro-1H-benzo[g]indazole (PubChem CID 71472821) has the molecular formula C18H15FN2O and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-7-methoxy-4,5-dihydro-1H-benzo[g]indazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-7-methoxy-4,5-dihydro-1H-benzo[g]indazole
PubChem CID71472821
Molecular FormulaC18H15FN2O
Molecular Weight294.33 g/mol
Exact Mass294.12
IUPAC Name3-(4-fluorophenyl)-7-methoxy-4,5-dihydro-1H-benzo[g]indazole
SMILESCOc1ccc2c(c1)CCc1c(-c3ccc(F)cc3)n[nH]c1-2
InChIInChI=1S/C18H15FN2O/c1-22-14-7-9-15-12(10-14)4-8-16-17(20-21-18(15)16)11-2-5-13(19)6-3-11/h2-3,5-7,9-10H,4,8H2,1H3,(H,20,21)
InChIKeyHZTVUVSCMMAIBO-UHFFFAOYSA-N
XLogP3.99
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-7-methoxy-4,5-dihydro-1H-benzo[g]indazole?
The IUPAC name of 3-(4-fluorophenyl)-7-methoxy-4,5-dihydro-1H-benzo[g]indazole (CID 71472821) is 3-(4-fluorophenyl)-7-methoxy-4,5-dihydro-1H-benzo[g]indazole.
What is the SMILES notation for 3-(4-fluorophenyl)-7-methoxy-4,5-dihydro-1H-benzo[g]indazole?
The canonical SMILES for 3-(4-fluorophenyl)-7-methoxy-4,5-dihydro-1H-benzo[g]indazole is COc1ccc2c(c1)CCc1c(-c3ccc(F)cc3)n[nH]c1-2.
What is the InChIKey of 3-(4-fluorophenyl)-7-methoxy-4,5-dihydro-1H-benzo[g]indazole?
The InChIKey is HZTVUVSCMMAIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O/c1-22-14-7-9-15-12(10-14)4-8-16-17(20-21-18(15)16)11-2-5-13(19)6-3-11/h2-3,5-7,9-10H,4,8H2,1H3,(H,20,21).
What are the key properties of 3-(4-fluorophenyl)-7-methoxy-4,5-dihydro-1H-benzo[g]indazole?
3-(4-fluorophenyl)-7-methoxy-4,5-dihydro-1H-benzo[g]indazole has a molecular weight of 294.33 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-7-methoxy-4,5-dihydro-1H-benzo[g]indazole is sourced from PubChem (CID 71472821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).