7-methoxy-2-phenyl-4,5-dihydrobenzo[g]indazole

C18H16N2O — CID 11608814

IUPAC7-methoxy-2-phenyl-4,5-dihydrobenzo[g]indazole
SMILESCOc1ccc2c(c1)CCc1cn(-c3ccccc3)nc1-2
InChIInChI=1S/C18H16N2O/c1-21-16-9-10-17-13(11-16)7-8-14-12-20(19-18(14)17)15-5-3-2-4-6-15/h2-6,9-12H,7-8H2,1H3
InChIKeyCPTKLZUCNANTJH-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.65
Rot. Bonds2

About 7-methoxy-2-phenyl-4,5-dihydrobenzo[g]indazole

7-methoxy-2-phenyl-4,5-dihydrobenzo[g]indazole (PubChem CID 11608814) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 7-methoxy-2-phenyl-4,5-dihydrobenzo[g]indazole.

Molecular Properties

Compound Name7-methoxy-2-phenyl-4,5-dihydrobenzo[g]indazole
PubChem CID11608814
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name7-methoxy-2-phenyl-4,5-dihydrobenzo[g]indazole
SMILESCOc1ccc2c(c1)CCc1cn(-c3ccccc3)nc1-2
InChIInChI=1S/C18H16N2O/c1-21-16-9-10-17-13(11-16)7-8-14-12-20(19-18(14)17)15-5-3-2-4-6-15/h2-6,9-12H,7-8H2,1H3
InChIKeyCPTKLZUCNANTJH-UHFFFAOYSA-N
XLogP3.65
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-phenyl-4,5-dihydrobenzo[g]indazole?
The IUPAC name of 7-methoxy-2-phenyl-4,5-dihydrobenzo[g]indazole (CID 11608814) is 7-methoxy-2-phenyl-4,5-dihydrobenzo[g]indazole.
What is the SMILES notation for 7-methoxy-2-phenyl-4,5-dihydrobenzo[g]indazole?
The canonical SMILES for 7-methoxy-2-phenyl-4,5-dihydrobenzo[g]indazole is COc1ccc2c(c1)CCc1cn(-c3ccccc3)nc1-2.
What is the InChIKey of 7-methoxy-2-phenyl-4,5-dihydrobenzo[g]indazole?
The InChIKey is CPTKLZUCNANTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-21-16-9-10-17-13(11-16)7-8-14-12-20(19-18(14)17)15-5-3-2-4-6-15/h2-6,9-12H,7-8H2,1H3.
What are the key properties of 7-methoxy-2-phenyl-4,5-dihydrobenzo[g]indazole?
7-methoxy-2-phenyl-4,5-dihydrobenzo[g]indazole has a molecular weight of 276.34 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-phenyl-4,5-dihydrobenzo[g]indazole is sourced from PubChem (CID 11608814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).