2-[7-methoxy-1-(3,4,5-trimethoxyphenyl)-4,5-dihydrobenzo[e]indazol-2-yl]ethanol

C23H26N2O5 — CID 141477179

IUPAC2-[7-methoxy-1-(3,4,5-trimethoxyphenyl)-4,5-dihydrobenzo[e]indazol-2-yl]ethanol
SMILESCOc1ccc2c(c1)CCc1nn(CCO)c(-c3cc(OC)c(OC)c(OC)c3)c1-2
InChIInChI=1S/C23H26N2O5/c1-27-16-6-7-17-14(11-16)5-8-18-21(17)22(25(24-18)9-10-26)15-12-19(28-2)23(30-4)20(13-15)29-3/h6-7,11-13,26H,5,8-10H2,1-4H3
InChIKeyVCBYZCSEBQFVAM-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.34
Rot. Bonds7

About 2-[7-methoxy-1-(3,4,5-trimethoxyphenyl)-4,5-dihydrobenzo[e]indazol-2-yl]ethanol

2-[7-methoxy-1-(3,4,5-trimethoxyphenyl)-4,5-dihydrobenzo[e]indazol-2-yl]ethanol (PubChem CID 141477179) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is 2-[7-methoxy-1-(3,4,5-trimethoxyphenyl)-4,5-dihydrobenzo[e]indazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[7-methoxy-1-(3,4,5-trimethoxyphenyl)-4,5-dihydrobenzo[e]indazol-2-yl]ethanol
PubChem CID141477179
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name2-[7-methoxy-1-(3,4,5-trimethoxyphenyl)-4,5-dihydrobenzo[e]indazol-2-yl]ethanol
SMILESCOc1ccc2c(c1)CCc1nn(CCO)c(-c3cc(OC)c(OC)c(OC)c3)c1-2
InChIInChI=1S/C23H26N2O5/c1-27-16-6-7-17-14(11-16)5-8-18-21(17)22(25(24-18)9-10-26)15-12-19(28-2)23(30-4)20(13-15)29-3/h6-7,11-13,26H,5,8-10H2,1-4H3
InChIKeyVCBYZCSEBQFVAM-UHFFFAOYSA-N
XLogP3.34
TPSA74.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[7-methoxy-1-(3,4,5-trimethoxyphenyl)-4,5-dihydrobenzo[e]indazol-2-yl]ethanol with MolForge

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Related Compounds

Tubulin inhibitor 1
CID 137319628
7-methoxy-1-(3,4,5-trimethoxyphenyl)-4,5-dihydro-3H-benzo[e]indazole
CID 141477178
7-Methoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-4,5-dihydrobenzo[e]indazole
CID 141477188
4-(4-Methoxyphenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)pyrazole
CID 141435674
4-(4-Methoxyphenyl)-1-methyl-5-(3,4,5-trimethoxyphenyl)pyrazole
CID 141435684
4-(3-Fluoro-4-methoxyphenyl)-1-methyl-5-(3,4,5-trimethoxyphenyl)pyrazole
CID 145989793
4-(4-Ethoxyphenyl)-1-methyl-5-(3,4,5-trimethoxyphenyl)pyrazole
CID 145990139
2-Methoxy-5-[1-methyl-4-(3,4,5-trimethoxyphenyl)pyrazol-5-yl]phenol
CID 134139864
2-Methoxy-5-[1-methyl-4-(3,4,5-trimethoxyphenyl)pyrazol-3-yl]phenol
CID 134146641
2-Methoxy-5-[1-methyl-5-(3,4,5-trimethoxyphenyl)pyrazol-4-yl]phenol
CID 134157318
7,8-Dimethoxy-1-phenyl-4,5-dihydrobenzo[g]indazole
CID 44726121
7-Methoxy-2-phenyl-1-(3,4,5-trimethoxyphenyl)-4,5-dihydrobenzo[e]indazole
CID 141477182

Frequently Asked Questions

What is the IUPAC name of 2-[7-methoxy-1-(3,4,5-trimethoxyphenyl)-4,5-dihydrobenzo[e]indazol-2-yl]ethanol?
The IUPAC name of 2-[7-methoxy-1-(3,4,5-trimethoxyphenyl)-4,5-dihydrobenzo[e]indazol-2-yl]ethanol (CID 141477179) is 2-[7-methoxy-1-(3,4,5-trimethoxyphenyl)-4,5-dihydrobenzo[e]indazol-2-yl]ethanol.
What is the SMILES notation for 2-[7-methoxy-1-(3,4,5-trimethoxyphenyl)-4,5-dihydrobenzo[e]indazol-2-yl]ethanol?
The canonical SMILES for 2-[7-methoxy-1-(3,4,5-trimethoxyphenyl)-4,5-dihydrobenzo[e]indazol-2-yl]ethanol is COc1ccc2c(c1)CCc1nn(CCO)c(-c3cc(OC)c(OC)c(OC)c3)c1-2.
What is the InChIKey of 2-[7-methoxy-1-(3,4,5-trimethoxyphenyl)-4,5-dihydrobenzo[e]indazol-2-yl]ethanol?
The InChIKey is VCBYZCSEBQFVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-27-16-6-7-17-14(11-16)5-8-18-21(17)22(25(24-18)9-10-26)15-12-19(28-2)23(30-4)20(13-15)29-3/h6-7,11-13,26H,5,8-10H2,1-4H3.
What are the key properties of 2-[7-methoxy-1-(3,4,5-trimethoxyphenyl)-4,5-dihydrobenzo[e]indazol-2-yl]ethanol?
2-[7-methoxy-1-(3,4,5-trimethoxyphenyl)-4,5-dihydrobenzo[e]indazol-2-yl]ethanol has a molecular weight of 410.47 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-methoxy-1-(3,4,5-trimethoxyphenyl)-4,5-dihydrobenzo[e]indazol-2-yl]ethanol is sourced from PubChem (CID 141477179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).