4-[3-[2-(3,4-dimethoxyphenyl)ethenyl]-1H-indazol-6-yl]-2-methoxyphenol

C24H22N2O4 — CID 136641847

IUPAC4-[3-[2-(3,4-dimethoxyphenyl)ethenyl]-1H-indazol-6-yl]-2-methoxyphenol
SMILESCOc1cc(-c2ccc3c(C=Cc4ccc(OC)c(OC)c4)n[nH]c3c2)ccc1O
InChIInChI=1S/C24H22N2O4/c1-28-22-11-5-15(12-24(22)30-3)4-9-19-18-8-6-16(13-20(18)26-25-19)17-7-10-21(27)23(14-17)29-2/h4-14,27H,1-3H3,(H,25,26)
InChIKeyXTZUWEGTTUIMBG-UHFFFAOYSA-N
MW402.45 g/mol
LogP5.13
Rot. Bonds6

About 4-[3-[2-(3,4-dimethoxyphenyl)ethenyl]-1H-indazol-6-yl]-2-methoxyphenol

4-[3-[2-(3,4-dimethoxyphenyl)ethenyl]-1H-indazol-6-yl]-2-methoxyphenol (PubChem CID 136641847) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 4-[3-[2-(3,4-dimethoxyphenyl)ethenyl]-1H-indazol-6-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[3-[2-(3,4-dimethoxyphenyl)ethenyl]-1H-indazol-6-yl]-2-methoxyphenol
PubChem CID136641847
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name4-[3-[2-(3,4-dimethoxyphenyl)ethenyl]-1H-indazol-6-yl]-2-methoxyphenol
SMILESCOc1cc(-c2ccc3c(C=Cc4ccc(OC)c(OC)c4)n[nH]c3c2)ccc1O
InChIInChI=1S/C24H22N2O4/c1-28-22-11-5-15(12-24(22)30-3)4-9-19-18-8-6-16(13-20(18)26-25-19)17-7-10-21(27)23(14-17)29-2/h4-14,27H,1-3H3,(H,25,26)
InChIKeyXTZUWEGTTUIMBG-UHFFFAOYSA-N
XLogP5.13
TPSA76.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.45
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[3-[2-(3,4-dimethoxyphenyl)ethenyl]-1H-indazol-6-yl]-2-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1E,3E)-4-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-2-methoxyphenol
CID 87643823
4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyphenol
CID 10377070
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyphenol
CID 11406193
5-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-2,3-dimethoxyphenol
CID 5386528
3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde
CID 174683420
(E)-3-[3,5-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-pyrazol-4-yl]prop-2-en-1-ol
CID 44570519
4-[(E)-2-(5-butyl-1H-pyrazol-3-yl)ethenyl]-2-methoxyphenol
CID 142077434
2-methoxy-4-[(E)-2-[5-[(E)-2-phenylethenyl]-1H-pyrazol-3-yl]ethenyl]phenol
CID 135453214
4-[2-[5-[(E)-2-(4-chlorophenyl)ethenyl]-1H-pyrazol-3-yl]ethenyl]-2-methoxyphenol
CID 173113837
5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-fluorobenzene-1,3-diol
CID 72723769
3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-1H-indazole-5-carboxamide
CID 68934311
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1,2-oxazol-5-yl]ethenyl]-2-methoxyphenol
CID 135923992

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(3,4-dimethoxyphenyl)ethenyl]-1H-indazol-6-yl]-2-methoxyphenol?
The IUPAC name of 4-[3-[2-(3,4-dimethoxyphenyl)ethenyl]-1H-indazol-6-yl]-2-methoxyphenol (CID 136641847) is 4-[3-[2-(3,4-dimethoxyphenyl)ethenyl]-1H-indazol-6-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[3-[2-(3,4-dimethoxyphenyl)ethenyl]-1H-indazol-6-yl]-2-methoxyphenol?
The canonical SMILES for 4-[3-[2-(3,4-dimethoxyphenyl)ethenyl]-1H-indazol-6-yl]-2-methoxyphenol is COc1cc(-c2ccc3c(C=Cc4ccc(OC)c(OC)c4)n[nH]c3c2)ccc1O.
What is the InChIKey of 4-[3-[2-(3,4-dimethoxyphenyl)ethenyl]-1H-indazol-6-yl]-2-methoxyphenol?
The InChIKey is XTZUWEGTTUIMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-28-22-11-5-15(12-24(22)30-3)4-9-19-18-8-6-16(13-20(18)26-25-19)17-7-10-21(27)23(14-17)29-2/h4-14,27H,1-3H3,(H,25,26).
What are the key properties of 4-[3-[2-(3,4-dimethoxyphenyl)ethenyl]-1H-indazol-6-yl]-2-methoxyphenol?
4-[3-[2-(3,4-dimethoxyphenyl)ethenyl]-1H-indazol-6-yl]-2-methoxyphenol has a molecular weight of 402.45 g/mol, XLogP of 5.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(3,4-dimethoxyphenyl)ethenyl]-1H-indazol-6-yl]-2-methoxyphenol is sourced from PubChem (CID 136641847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).