tert-butyl [6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl] carbonate

C24H27NO8 — CID 67077480

IUPACtert-butyl [6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl] carbonate
SMILESCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)cn(OC(=O)OC(C)(C)C)c2c1
InChIInChI=1S/C24H27NO8/c1-24(2,3)32-23(27)33-25-13-17(16-9-8-15(28-4)12-18(16)25)21(26)14-10-19(29-5)22(31-7)20(11-14)30-6/h8-13H,1-7H3
InChIKeyWWWVQKSFKBBGNU-UHFFFAOYSA-N
MW457.48 g/mol
LogP4.27
Rot. Bonds7

About tert-butyl [6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl] carbonate

tert-butyl [6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl] carbonate (PubChem CID 67077480) has the molecular formula C24H27NO8 and a molecular weight of 457.48 g/mol. Its IUPAC name is tert-butyl [6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl] carbonate.

Molecular Properties

Compound Nametert-butyl [6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl] carbonate
PubChem CID67077480
Molecular FormulaC24H27NO8
Molecular Weight457.48 g/mol
Exact Mass457.17
IUPAC Nametert-butyl [6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl] carbonate
SMILESCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)cn(OC(=O)OC(C)(C)C)c2c1
InChIInChI=1S/C24H27NO8/c1-24(2,3)32-23(27)33-25-13-17(16-9-8-15(28-4)12-18(16)25)21(26)14-10-19(29-5)22(31-7)20(11-14)30-6/h8-13H,1-7H3
InChIKeyWWWVQKSFKBBGNU-UHFFFAOYSA-N
XLogP4.27
TPSA94.45 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.48
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze tert-butyl [6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl] carbonate with MolForge

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Related Compounds

[6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl] phenyl carbonate
CID 67077417
[1-(6-hydroxyhexyl)-6-methoxyindol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 45270426
[1-[2-amino-3-hydroxy-2-(hydroxymethyl)propyl]-6-methoxyindol-3-yl]-(3-methoxy-4,5-dimethylphenyl)methanone
CID 58078797
(4-methoxy-2-nitrophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 11100097
tert-butyl N-[2-(3,4,5-trimethoxybenzoyl)phenyl]carbamate
CID 19876877
(3,4-dimethoxy-5-propan-2-yloxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone
CID 177125861
(1,7-dihydroxy-6-methoxyindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 143584965
(1-butyl-6-methoxy-2-methylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 45271275
9H-fluoren-9-ylmethyl N-[2-[6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl]-2-oxoethyl]carbamate
CID 11678920
(3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 10902719
[1-(4-methoxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708645
[1-[4-[3-amino-4-hydroxy-3-(hydroxymethyl)butyl]phenyl]sulfonyl-6-methoxyindol-3-yl]-(3,4-dimethoxy-5-methylphenyl)methanone
CID 58078834

Frequently Asked Questions

What is the IUPAC name of tert-butyl [6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl] carbonate?
The IUPAC name of tert-butyl [6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl] carbonate (CID 67077480) is tert-butyl [6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl] carbonate.
What is the SMILES notation for tert-butyl [6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl] carbonate?
The canonical SMILES for tert-butyl [6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl] carbonate is COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)cn(OC(=O)OC(C)(C)C)c2c1.
What is the InChIKey of tert-butyl [6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl] carbonate?
The InChIKey is WWWVQKSFKBBGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO8/c1-24(2,3)32-23(27)33-25-13-17(16-9-8-15(28-4)12-18(16)25)21(26)14-10-19(29-5)22(31-7)20(11-14)30-6/h8-13H,1-7H3.
What are the key properties of tert-butyl [6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl] carbonate?
tert-butyl [6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl] carbonate has a molecular weight of 457.48 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl] carbonate is sourced from PubChem (CID 67077480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).