6-ethyl-1H-indazole;6-methyl-2,3-dihydro-1,4-benzodioxine

C18H20N2O2 — CID 142825866

IUPAC6-ethyl-1H-indazole;6-methyl-2,3-dihydro-1,4-benzodioxine
SMILESCCc1ccc2cn[nH]c2c1.Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C9H10N2.C9H10O2/c1-2-7-3-4-8-6-10-11-9(8)5-7;1-7-2-3-8-9(6-7)11-5-4-10-8/h3-6H,2H2,1H3,(H,10,11);2-3,6H,4-5H2,1H3
InChIKeyZYXLJZDSFXDQBX-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.89
Rot. Bonds1

About 6-ethyl-1H-indazole;6-methyl-2,3-dihydro-1,4-benzodioxine

6-ethyl-1H-indazole;6-methyl-2,3-dihydro-1,4-benzodioxine (PubChem CID 142825866) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 6-ethyl-1H-indazole;6-methyl-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name6-ethyl-1H-indazole;6-methyl-2,3-dihydro-1,4-benzodioxine
PubChem CID142825866
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name6-ethyl-1H-indazole;6-methyl-2,3-dihydro-1,4-benzodioxine
SMILESCCc1ccc2cn[nH]c2c1.Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C9H10N2.C9H10O2/c1-2-7-3-4-8-6-10-11-9(8)5-7;1-7-2-3-8-9(6-7)11-5-4-10-8/h3-6H,2H2,1H3,(H,10,11);2-3,6H,4-5H2,1H3
InChIKeyZYXLJZDSFXDQBX-UHFFFAOYSA-N
XLogP3.89
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-indazol-6-yl]-2-methoxyphenol
CID 135839302
N-(3-ethoxy-4-methoxybenzyl)-1H-indazol-6-amine
CID 784380
6-methoxy-4-phenyl-1H-indazole
CID 127046307
6-(3-ethoxyphenyl)-1H-indazole
CID 145952450
2-[[4-(1H-indazol-5-yl)phenyl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 155536047
N-[6-(4-hydroxy-3-methoxyphenyl)-1H-indazol-4-yl]ethanesulfonamide
CID 155559746
N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine
CID 44595810
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1H-indazol-6-yl)phenoxy]propan-2-ol
CID 86729235
2-(2-hydroxyethoxy)-4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]phenol
CID 135839318
2-ethoxy-4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]phenol
CID 135839325
2-methoxy-4-(3-phenyl-1H-indazol-6-yl)phenol
CID 135839326
4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]-2-phenylmethoxyphenol
CID 135839334

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1H-indazole;6-methyl-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 6-ethyl-1H-indazole;6-methyl-2,3-dihydro-1,4-benzodioxine (CID 142825866) is 6-ethyl-1H-indazole;6-methyl-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 6-ethyl-1H-indazole;6-methyl-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 6-ethyl-1H-indazole;6-methyl-2,3-dihydro-1,4-benzodioxine is CCc1ccc2cn[nH]c2c1.Cc1ccc2c(c1)OCCO2.
What is the InChIKey of 6-ethyl-1H-indazole;6-methyl-2,3-dihydro-1,4-benzodioxine?
The InChIKey is ZYXLJZDSFXDQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.C9H10O2/c1-2-7-3-4-8-6-10-11-9(8)5-7;1-7-2-3-8-9(6-7)11-5-4-10-8/h3-6H,2H2,1H3,(H,10,11);2-3,6H,4-5H2,1H3.
What are the key properties of 6-ethyl-1H-indazole;6-methyl-2,3-dihydro-1,4-benzodioxine?
6-ethyl-1H-indazole;6-methyl-2,3-dihydro-1,4-benzodioxine has a molecular weight of 296.37 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1H-indazole;6-methyl-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 142825866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).