4-[(8-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-1H-indazole

C17H16N2O2 — CID 145267485

IUPAC4-[(8-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-1H-indazole
SMILESCc1ccc(Cc2cccc3[nH]ncc23)c2c1OCCO2
InChIInChI=1S/C17H16N2O2/c1-11-5-6-13(17-16(11)20-7-8-21-17)9-12-3-2-4-15-14(12)10-18-19-15/h2-6,10H,7-9H2,1H3,(H,18,19)
InChIKeyLFEKQMGQZMITGH-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.23
Rot. Bonds2

About 4-[(8-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-1H-indazole

4-[(8-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-1H-indazole (PubChem CID 145267485) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-[(8-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-1H-indazole.

Molecular Properties

Compound Name4-[(8-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-1H-indazole
PubChem CID145267485
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name4-[(8-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-1H-indazole
SMILESCc1ccc(Cc2cccc3[nH]ncc23)c2c1OCCO2
InChIInChI=1S/C17H16N2O2/c1-11-5-6-13(17-16(11)20-7-8-21-17)9-12-3-2-4-15-14(12)10-18-19-15/h2-6,10H,7-9H2,1H3,(H,18,19)
InChIKeyLFEKQMGQZMITGH-UHFFFAOYSA-N
XLogP3.23
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
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
4-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]-2-phenylmethoxyphenol
CID 135839334
4-[3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-indazol-6-yl]-2-prop-2-enoxyphenol
CID 136164948
7,8-Dimethoxy-10,11-dihydro-3H-naphtho(1,2-g)indazole
CID 317781
6-(3-ethoxy-2-fluorophenyl)-1H-indazole
CID 145949598
[3-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]phenyl]methanamine
CID 166625737
6-(4-methoxyphenyl)-1H-indazole
CID 72923141
4-(3,4,5-trimethoxyphenyl)-1H-indazole
CID 157013232

Frequently Asked Questions

What is the IUPAC name of 4-[(8-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-1H-indazole?
The IUPAC name of 4-[(8-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-1H-indazole (CID 145267485) is 4-[(8-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-1H-indazole.
What is the SMILES notation for 4-[(8-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-1H-indazole?
The canonical SMILES for 4-[(8-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-1H-indazole is Cc1ccc(Cc2cccc3[nH]ncc23)c2c1OCCO2.
What is the InChIKey of 4-[(8-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-1H-indazole?
The InChIKey is LFEKQMGQZMITGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-5-6-13(17-16(11)20-7-8-21-17)9-12-3-2-4-15-14(12)10-18-19-15/h2-6,10H,7-9H2,1H3,(H,18,19).
What are the key properties of 4-[(8-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-1H-indazole?
4-[(8-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-1H-indazole has a molecular weight of 280.33 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-1H-indazole is sourced from PubChem (CID 145267485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).