1-(4-fluorophenyl)-3-methylbenzo[g]indazol-5-ol

C18H13FN2O — CID 162734813

IUPAC1-(4-fluorophenyl)-3-methylbenzo[g]indazol-5-ol
SMILESCc1nn(-c2ccc(F)cc2)c2c1cc(O)c1ccccc12
InChIInChI=1S/C18H13FN2O/c1-11-16-10-17(22)14-4-2-3-5-15(14)18(16)21(20-11)13-8-6-12(19)7-9-13/h2-10,22H,1H3
InChIKeyXOVGDNVAARDOHW-UHFFFAOYSA-N
MW292.31 g/mol
LogP4.33
Rot. Bonds1

About 1-(4-fluorophenyl)-3-methylbenzo[g]indazol-5-ol

1-(4-fluorophenyl)-3-methylbenzo[g]indazol-5-ol (PubChem CID 162734813) has the molecular formula C18H13FN2O and a molecular weight of 292.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-methylbenzo[g]indazol-5-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-methylbenzo[g]indazol-5-ol
PubChem CID162734813
Molecular FormulaC18H13FN2O
Molecular Weight292.31 g/mol
Exact Mass292.10
IUPAC Name1-(4-fluorophenyl)-3-methylbenzo[g]indazol-5-ol
SMILESCc1nn(-c2ccc(F)cc2)c2c1cc(O)c1ccccc12
InChIInChI=1S/C18H13FN2O/c1-11-16-10-17(22)14-4-2-3-5-15(14)18(16)21(20-11)13-8-6-12(19)7-9-13/h2-10,22H,1H3
InChIKeyXOVGDNVAARDOHW-UHFFFAOYSA-N
XLogP4.33
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-methylbenzo[g]indazol-5-ol?
The IUPAC name of 1-(4-fluorophenyl)-3-methylbenzo[g]indazol-5-ol (CID 162734813) is 1-(4-fluorophenyl)-3-methylbenzo[g]indazol-5-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-3-methylbenzo[g]indazol-5-ol?
The canonical SMILES for 1-(4-fluorophenyl)-3-methylbenzo[g]indazol-5-ol is Cc1nn(-c2ccc(F)cc2)c2c1cc(O)c1ccccc12.
What is the InChIKey of 1-(4-fluorophenyl)-3-methylbenzo[g]indazol-5-ol?
The InChIKey is XOVGDNVAARDOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O/c1-11-16-10-17(22)14-4-2-3-5-15(14)18(16)21(20-11)13-8-6-12(19)7-9-13/h2-10,22H,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-methylbenzo[g]indazol-5-ol?
1-(4-fluorophenyl)-3-methylbenzo[g]indazol-5-ol has a molecular weight of 292.31 g/mol, XLogP of 4.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-methylbenzo[g]indazol-5-ol is sourced from PubChem (CID 162734813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).