6-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]-1H-indazole

C22H18N2O — CID 174370726

IUPAC6-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]-1H-indazole
SMILESCOc1ccccc1-c1ccc2c(/C=C/c3ccccc3)n[nH]c2c1
InChIInChI=1S/C22H18N2O/c1-25-22-10-6-5-9-18(22)17-12-13-19-20(23-24-21(19)15-17)14-11-16-7-3-2-4-8-16/h2-15H,1H3,(H,23,24)/b14-11+
InChIKeyMQGKRSOEMHPMHY-SDNWHVSQSA-N
MW326.40 g/mol
LogP5.41
Rot. Bonds4

About 6-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]-1H-indazole

6-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]-1H-indazole (PubChem CID 174370726) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]-1H-indazole.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]-1H-indazole
PubChem CID174370726
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name6-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]-1H-indazole
SMILESCOc1ccccc1-c1ccc2c(/C=C/c3ccccc3)n[nH]c2c1
InChIInChI=1S/C22H18N2O/c1-25-22-10-6-5-9-18(22)17-12-13-19-20(23-24-21(19)15-17)14-11-16-7-3-2-4-8-16/h2-15H,1H3,(H,23,24)/b14-11+
InChIKeyMQGKRSOEMHPMHY-SDNWHVSQSA-N
XLogP5.41
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-methoxyphenyl)-1H-indazol-3-amine
CID 11694382
3-(2-phenylethenyl)-6-pyridin-3-yl-1H-indazole
CID 90971721
1H-indazole;6-(6-methoxy-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole
CID 69371814
4-[3-[2-(3,4-dimethoxyphenyl)ethenyl]-1H-indazol-6-yl]-2-methoxyphenol
CID 136641847
ethane;fluoromethane;3-[(E)-2-phenylethenyl]-1H-indazole
CID 142995649
4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]quinoline
CID 22352423
1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-(3-phenylpropyl)urea
CID 69061205
5-(4-chloro-5-ethyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole
CID 10133119
[3-(methylamino)phenyl]-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone
CID 142037641
3-(1H-benzimidazol-2-yl)-5-(2-methoxyphenyl)-1H-indazole
CID 141037146
2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]propanamide
CID 134148392
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]-1H-indazole?
The IUPAC name of 6-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]-1H-indazole (CID 174370726) is 6-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]-1H-indazole.
What is the SMILES notation for 6-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]-1H-indazole?
The canonical SMILES for 6-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]-1H-indazole is COc1ccccc1-c1ccc2c(/C=C/c3ccccc3)n[nH]c2c1.
What is the InChIKey of 6-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]-1H-indazole?
The InChIKey is MQGKRSOEMHPMHY-SDNWHVSQSA-N. The full InChI is InChI=1S/C22H18N2O/c1-25-22-10-6-5-9-18(22)17-12-13-19-20(23-24-21(19)15-17)14-11-16-7-3-2-4-8-16/h2-15H,1H3,(H,23,24)/b14-11+.
What are the key properties of 6-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]-1H-indazole?
6-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]-1H-indazole has a molecular weight of 326.40 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]-1H-indazole is sourced from PubChem (CID 174370726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).