ethane;7-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole

C15H20N2O — CID 143217654

IUPACethane;7-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole
SMILESCC.COc1ccc2c(c1)CCc1cn(C)nc1-2
InChIInChI=1S/C13H14N2O.C2H6/c1-15-8-10-4-3-9-7-11(16-2)5-6-12(9)13(10)14-15;1-2/h5-8H,3-4H2,1-2H3;1-2H3
InChIKeyZMHZWYRXZOPIRB-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.22
Rot. Bonds1

About ethane;7-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole

ethane;7-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole (PubChem CID 143217654) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is ethane;7-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole.

Molecular Properties

Compound Nameethane;7-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole
PubChem CID143217654
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Nameethane;7-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole
SMILESCC.COc1ccc2c(c1)CCc1cn(C)nc1-2
InChIInChI=1S/C13H14N2O.C2H6/c1-15-8-10-4-3-9-7-11(16-2)5-6-12(9)13(10)14-15;1-2/h5-8H,3-4H2,1-2H3;1-2H3
InChIKeyZMHZWYRXZOPIRB-UHFFFAOYSA-N
XLogP3.22
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole
CID 118404764
7-methoxy-2-phenyl-4,5-dihydrobenzo[g]indazole
CID 11608814
CID 11420730
CID 11420730
cobalt(2+);7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
CID 71595556
5-methoxy-15-methyl-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaen-13-amine
CID 115910833
N,N-bis(2-chloroethyl)-2-(7-methoxy-4,5-dihydrobenzo[g]indazol-1-yl)ethanamine;dihydrochloride
CID 90675209
7-methoxy-4,5-dihydro-1H-benzo[g]indole
CID 10535996
2-methoxy-7-(trifluoromethoxy)-9,10-dihydrophenanthrene
CID 18377970
5-methoxy-N-methyl-2,3-dihydroinden-1-imine oxide
CID 11030624
8-methoxy-N-(4-methoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 18918768
1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)cyclobutan-1-amine
CID 62942885
8-methoxy-N-propyl-5,6-dihydrobenzo[h]cinnolin-3-amine
CID 62783867

Frequently Asked Questions

What is the IUPAC name of ethane;7-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole?
The IUPAC name of ethane;7-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole (CID 143217654) is ethane;7-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole.
What is the SMILES notation for ethane;7-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole?
The canonical SMILES for ethane;7-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole is CC.COc1ccc2c(c1)CCc1cn(C)nc1-2.
What is the InChIKey of ethane;7-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole?
The InChIKey is ZMHZWYRXZOPIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O.C2H6/c1-15-8-10-4-3-9-7-11(16-2)5-6-12(9)13(10)14-15;1-2/h5-8H,3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;7-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole?
ethane;7-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole has a molecular weight of 244.34 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole is sourced from PubChem (CID 143217654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).