[3-(2,4-dimethoxybenzoyl)-4-methoxy-1H-indol-5-yl]-(2,4-dimethoxyphenyl)methanone

C27H25NO7 — CID 155523749

IUPAC[3-(2,4-dimethoxybenzoyl)-4-methoxy-1H-indol-5-yl]-(2,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc3[nH]cc(C(=O)c4ccc(OC)cc4OC)c3c2OC)c(OC)c1
InChIInChI=1S/C27H25NO7/c1-31-15-6-8-17(22(12-15)33-3)25(29)19-10-11-21-24(27(19)35-5)20(14-28-21)26(30)18-9-7-16(32-2)13-23(18)34-4/h6-14,28H,1-5H3
InChIKeyCJTMGJGXFVQRAD-UHFFFAOYSA-N
MW475.50 g/mol
LogP4.67
Rot. Bonds9

About [3-(2,4-dimethoxybenzoyl)-4-methoxy-1H-indol-5-yl]-(2,4-dimethoxyphenyl)methanone

[3-(2,4-dimethoxybenzoyl)-4-methoxy-1H-indol-5-yl]-(2,4-dimethoxyphenyl)methanone (PubChem CID 155523749) has the molecular formula C27H25NO7 and a molecular weight of 475.50 g/mol. Its IUPAC name is [3-(2,4-dimethoxybenzoyl)-4-methoxy-1H-indol-5-yl]-(2,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(2,4-dimethoxybenzoyl)-4-methoxy-1H-indol-5-yl]-(2,4-dimethoxyphenyl)methanone
PubChem CID155523749
Molecular FormulaC27H25NO7
Molecular Weight475.50 g/mol
Exact Mass475.16
IUPAC Name[3-(2,4-dimethoxybenzoyl)-4-methoxy-1H-indol-5-yl]-(2,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc3[nH]cc(C(=O)c4ccc(OC)cc4OC)c3c2OC)c(OC)c1
InChIInChI=1S/C27H25NO7/c1-31-15-6-8-17(22(12-15)33-3)25(29)19-10-11-21-24(27(19)35-5)20(14-28-21)26(30)18-9-7-16(32-2)13-23(18)34-4/h6-14,28H,1-5H3
InChIKeyCJTMGJGXFVQRAD-UHFFFAOYSA-N
XLogP4.67
TPSA96.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(2,4-dimethoxybenzoyl)-4-methoxy-1H-indol-5-yl]-(2,4-dimethoxyphenyl)methanone?
The IUPAC name of [3-(2,4-dimethoxybenzoyl)-4-methoxy-1H-indol-5-yl]-(2,4-dimethoxyphenyl)methanone (CID 155523749) is [3-(2,4-dimethoxybenzoyl)-4-methoxy-1H-indol-5-yl]-(2,4-dimethoxyphenyl)methanone.
What is the SMILES notation for [3-(2,4-dimethoxybenzoyl)-4-methoxy-1H-indol-5-yl]-(2,4-dimethoxyphenyl)methanone?
The canonical SMILES for [3-(2,4-dimethoxybenzoyl)-4-methoxy-1H-indol-5-yl]-(2,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)c2ccc3[nH]cc(C(=O)c4ccc(OC)cc4OC)c3c2OC)c(OC)c1.
What is the InChIKey of [3-(2,4-dimethoxybenzoyl)-4-methoxy-1H-indol-5-yl]-(2,4-dimethoxyphenyl)methanone?
The InChIKey is CJTMGJGXFVQRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO7/c1-31-15-6-8-17(22(12-15)33-3)25(29)19-10-11-21-24(27(19)35-5)20(14-28-21)26(30)18-9-7-16(32-2)13-23(18)34-4/h6-14,28H,1-5H3.
What are the key properties of [3-(2,4-dimethoxybenzoyl)-4-methoxy-1H-indol-5-yl]-(2,4-dimethoxyphenyl)methanone?
[3-(2,4-dimethoxybenzoyl)-4-methoxy-1H-indol-5-yl]-(2,4-dimethoxyphenyl)methanone has a molecular weight of 475.50 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4-dimethoxybenzoyl)-4-methoxy-1H-indol-5-yl]-(2,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 155523749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).