[2-(3-hydroxy-4-methylphenyl)-6-methoxy-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone

C26H25NO6 — CID 20755479

IUPAC[2-(3-hydroxy-4-methylphenyl)-6-methoxy-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(-c3ccc(C)c(O)c3)[nH]c2c1
InChIInChI=1S/C26H25NO6/c1-14-6-7-15(10-20(14)28)24-23(18-9-8-17(30-2)13-19(18)27-24)25(29)16-11-21(31-3)26(33-5)22(12-16)32-4/h6-13,27-28H,1-5H3
InChIKeyBZHQMJADBQSYKB-UHFFFAOYSA-N
MW447.49 g/mol
LogP5.11
Rot. Bonds7

About [2-(3-hydroxy-4-methylphenyl)-6-methoxy-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone

[2-(3-hydroxy-4-methylphenyl)-6-methoxy-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 20755479) has the molecular formula C26H25NO6 and a molecular weight of 447.49 g/mol. Its IUPAC name is [2-(3-hydroxy-4-methylphenyl)-6-methoxy-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(3-hydroxy-4-methylphenyl)-6-methoxy-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID20755479
Molecular FormulaC26H25NO6
Molecular Weight447.49 g/mol
Exact Mass447.17
IUPAC Name[2-(3-hydroxy-4-methylphenyl)-6-methoxy-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(-c3ccc(C)c(O)c3)[nH]c2c1
InChIInChI=1S/C26H25NO6/c1-14-6-7-15(10-20(14)28)24-23(18-9-8-17(30-2)13-19(18)27-24)25(29)16-11-21(31-3)26(33-5)22(12-16)32-4/h6-13,27-28H,1-5H3
InChIKeyBZHQMJADBQSYKB-UHFFFAOYSA-N
XLogP5.11
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.49
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(3-hydroxy-4-methylphenyl)-6-methoxy-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [2-(3-hydroxy-4-methylphenyl)-6-methoxy-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 20755479) is [2-(3-hydroxy-4-methylphenyl)-6-methoxy-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [2-(3-hydroxy-4-methylphenyl)-6-methoxy-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [2-(3-hydroxy-4-methylphenyl)-6-methoxy-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(-c3ccc(C)c(O)c3)[nH]c2c1.
What is the InChIKey of [2-(3-hydroxy-4-methylphenyl)-6-methoxy-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is BZHQMJADBQSYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO6/c1-14-6-7-15(10-20(14)28)24-23(18-9-8-17(30-2)13-19(18)27-24)25(29)16-11-21(31-3)26(33-5)22(12-16)32-4/h6-13,27-28H,1-5H3.
What are the key properties of [2-(3-hydroxy-4-methylphenyl)-6-methoxy-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
[2-(3-hydroxy-4-methylphenyl)-6-methoxy-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 447.49 g/mol, XLogP of 5.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-hydroxy-4-methylphenyl)-6-methoxy-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 20755479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).