[3-(3-amino-4-methoxyphenyl)-6-methoxy-1H-indol-2-yl]-(3,4,5-trimethoxyphenyl)methanol

C26H28N2O6 — CID 142051543

IUPAC[3-(3-amino-4-methoxyphenyl)-6-methoxy-1H-indol-2-yl]-(3,4,5-trimethoxyphenyl)methanol
SMILESCOc1ccc2c(-c3ccc(OC)c(N)c3)c(C(O)c3cc(OC)c(OC)c(OC)c3)[nH]c2c1
InChIInChI=1S/C26H28N2O6/c1-30-16-7-8-17-19(13-16)28-24(23(17)14-6-9-20(31-2)18(27)10-14)25(29)15-11-21(32-3)26(34-5)22(12-15)33-4/h6-13,25,28-29H,27H2,1-5H3
InChIKeyMZSUQXOYZQPYNR-UHFFFAOYSA-N
MW464.52 g/mol
LogP4.54
Rot. Bonds8

About [3-(3-amino-4-methoxyphenyl)-6-methoxy-1H-indol-2-yl]-(3,4,5-trimethoxyphenyl)methanol

[3-(3-amino-4-methoxyphenyl)-6-methoxy-1H-indol-2-yl]-(3,4,5-trimethoxyphenyl)methanol (PubChem CID 142051543) has the molecular formula C26H28N2O6 and a molecular weight of 464.52 g/mol. Its IUPAC name is [3-(3-amino-4-methoxyphenyl)-6-methoxy-1H-indol-2-yl]-(3,4,5-trimethoxyphenyl)methanol.

Molecular Properties

Compound Name[3-(3-amino-4-methoxyphenyl)-6-methoxy-1H-indol-2-yl]-(3,4,5-trimethoxyphenyl)methanol
PubChem CID142051543
Molecular FormulaC26H28N2O6
Molecular Weight464.52 g/mol
Exact Mass464.19
IUPAC Name[3-(3-amino-4-methoxyphenyl)-6-methoxy-1H-indol-2-yl]-(3,4,5-trimethoxyphenyl)methanol
SMILESCOc1ccc2c(-c3ccc(OC)c(N)c3)c(C(O)c3cc(OC)c(OC)c(OC)c3)[nH]c2c1
InChIInChI=1S/C26H28N2O6/c1-30-16-7-8-17-19(13-16)28-24(23(17)14-6-9-20(31-2)18(27)10-14)25(29)15-11-21(32-3)26(34-5)22(12-15)33-4/h6-13,25,28-29H,27H2,1-5H3
InChIKeyMZSUQXOYZQPYNR-UHFFFAOYSA-N
XLogP4.54
TPSA108.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze [3-(3-amino-4-methoxyphenyl)-6-methoxy-1H-indol-2-yl]-(3,4,5-trimethoxyphenyl)methanol 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

(3-amino-4-methoxyphenyl)-(4-methoxyphenyl)methanol
CID 91678444
5-(3-amino-4-methoxyphenyl)-2-methoxyaniline
CID 22646067
(S)-(3-amino-4-methoxyphenyl)-(4-phenylphenyl)methanol
CID 100804164
methyl 3-[hydroxy-(3,4,5-trimethoxyphenyl)methyl]-5-methoxy-1H-indole-2-carboxylate
CID 44597418
[6-methoxy-3-[4-methoxy-3-(phosphonatoamino)phenyl]-1H-indol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 20755497
2,5-dimethoxyaniline;molecular hydrogen
CID 159599481
2-methoxy-5-(2,4,6-trimethylphenyl)aniline
CID 54971573
(2,3,4-trimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanol
CID 10570762
1-(3-bromo-6-methoxy-1H-indol-2-yl)ethanamine
CID 84641080
5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-amine
CID 132548516
2,5-diazabicyclo[2.2.0]hexa-1(6),2,4-triene;2,5-dimethoxyaniline
CID 70450915
1,2,3,5-tetramethoxybenzene;1,2,4-trimethoxybenzene
CID 54271001

Frequently Asked Questions

What is the IUPAC name of [3-(3-amino-4-methoxyphenyl)-6-methoxy-1H-indol-2-yl]-(3,4,5-trimethoxyphenyl)methanol?
The IUPAC name of [3-(3-amino-4-methoxyphenyl)-6-methoxy-1H-indol-2-yl]-(3,4,5-trimethoxyphenyl)methanol (CID 142051543) is [3-(3-amino-4-methoxyphenyl)-6-methoxy-1H-indol-2-yl]-(3,4,5-trimethoxyphenyl)methanol.
What is the SMILES notation for [3-(3-amino-4-methoxyphenyl)-6-methoxy-1H-indol-2-yl]-(3,4,5-trimethoxyphenyl)methanol?
The canonical SMILES for [3-(3-amino-4-methoxyphenyl)-6-methoxy-1H-indol-2-yl]-(3,4,5-trimethoxyphenyl)methanol is COc1ccc2c(-c3ccc(OC)c(N)c3)c(C(O)c3cc(OC)c(OC)c(OC)c3)[nH]c2c1.
What is the InChIKey of [3-(3-amino-4-methoxyphenyl)-6-methoxy-1H-indol-2-yl]-(3,4,5-trimethoxyphenyl)methanol?
The InChIKey is MZSUQXOYZQPYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O6/c1-30-16-7-8-17-19(13-16)28-24(23(17)14-6-9-20(31-2)18(27)10-14)25(29)15-11-21(32-3)26(34-5)22(12-15)33-4/h6-13,25,28-29H,27H2,1-5H3.
What are the key properties of [3-(3-amino-4-methoxyphenyl)-6-methoxy-1H-indol-2-yl]-(3,4,5-trimethoxyphenyl)methanol?
[3-(3-amino-4-methoxyphenyl)-6-methoxy-1H-indol-2-yl]-(3,4,5-trimethoxyphenyl)methanol has a molecular weight of 464.52 g/mol, XLogP of 4.54, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-amino-4-methoxyphenyl)-6-methoxy-1H-indol-2-yl]-(3,4,5-trimethoxyphenyl)methanol is sourced from PubChem (CID 142051543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).