[2-(3-amino-4-methoxyphenyl)-4-(hydroxymethyl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone

C26H26N2O6 — CID 67888868

IUPAC[2-(3-amino-4-methoxyphenyl)-4-(hydroxymethyl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc(-c2[nH]c3cccc(CO)c3c2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1N
InChIInChI=1S/C26H26N2O6/c1-31-19-9-8-14(10-17(19)27)24-23(22-15(13-29)6-5-7-18(22)28-24)25(30)16-11-20(32-2)26(34-4)21(12-16)33-3/h5-12,28-29H,13,27H2,1-4H3
InChIKeyOCKUNRDDKLCDNT-UHFFFAOYSA-N
MW462.50 g/mol
LogP4.17
Rot. Bonds8

About [2-(3-amino-4-methoxyphenyl)-4-(hydroxymethyl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone

[2-(3-amino-4-methoxyphenyl)-4-(hydroxymethyl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 67888868) has the molecular formula C26H26N2O6 and a molecular weight of 462.50 g/mol. Its IUPAC name is [2-(3-amino-4-methoxyphenyl)-4-(hydroxymethyl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(3-amino-4-methoxyphenyl)-4-(hydroxymethyl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID67888868
Molecular FormulaC26H26N2O6
Molecular Weight462.50 g/mol
Exact Mass462.18
IUPAC Name[2-(3-amino-4-methoxyphenyl)-4-(hydroxymethyl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc(-c2[nH]c3cccc(CO)c3c2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1N
InChIInChI=1S/C26H26N2O6/c1-31-19-9-8-14(10-17(19)27)24-23(22-15(13-29)6-5-7-18(22)28-24)25(30)16-11-20(32-2)26(34-4)21(12-16)33-3/h5-12,28-29H,13,27H2,1-4H3
InChIKeyOCKUNRDDKLCDNT-UHFFFAOYSA-N
XLogP4.17
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxy-2-phenyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 122183344
[2-(3-amino-4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 141409884
[2-(3-hydroxy-4-methylphenyl)-6-methoxy-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 20755479
(2-amino-5-pyrimidin-5-ylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 25064338
5-(3-amino-4-methoxyphenyl)-2-methoxyaniline
CID 22646067
[3-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)-1H-indol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 59994721
[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methanol
CID 22557920
(3-phenylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 53364048
S-(3,4,5-trimethoxyphenyl) 3-amino-4-(hydroxymethyl)benzenecarbothioate
CID 58360131
(3-amino-4-methoxyphenyl)-(2-methylnaphthalen-1-yl)methanone
CID 91678600
(3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 10902719
(3,4-dimethoxyphenyl)-(2-methyl-1H-indol-3-yl)methanone
CID 15104433

Frequently Asked Questions

What is the IUPAC name of [2-(3-amino-4-methoxyphenyl)-4-(hydroxymethyl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [2-(3-amino-4-methoxyphenyl)-4-(hydroxymethyl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 67888868) is [2-(3-amino-4-methoxyphenyl)-4-(hydroxymethyl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [2-(3-amino-4-methoxyphenyl)-4-(hydroxymethyl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [2-(3-amino-4-methoxyphenyl)-4-(hydroxymethyl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1ccc(-c2[nH]c3cccc(CO)c3c2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1N.
What is the InChIKey of [2-(3-amino-4-methoxyphenyl)-4-(hydroxymethyl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is OCKUNRDDKLCDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O6/c1-31-19-9-8-14(10-17(19)27)24-23(22-15(13-29)6-5-7-18(22)28-24)25(30)16-11-20(32-2)26(34-4)21(12-16)33-3/h5-12,28-29H,13,27H2,1-4H3.
What are the key properties of [2-(3-amino-4-methoxyphenyl)-4-(hydroxymethyl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
[2-(3-amino-4-methoxyphenyl)-4-(hydroxymethyl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 462.50 g/mol, XLogP of 4.17, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-amino-4-methoxyphenyl)-4-(hydroxymethyl)-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 67888868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).