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

C26H23NO8 — CID 67077417

IUPAC[6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl] phenyl carbonate
SMILESCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)cn(OC(=O)Oc3ccccc3)c2c1
InChIInChI=1S/C26H23NO8/c1-30-18-10-11-19-20(24(28)16-12-22(31-2)25(33-4)23(13-16)32-3)15-27(21(19)14-18)35-26(29)34-17-8-6-5-7-9-17/h5-15H,1-4H3
InChIKeySTNFQOPTOCNPNJ-UHFFFAOYSA-N
MW477.47 g/mol
LogP4.53
Rot. Bonds8

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

[6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl] phenyl carbonate (PubChem CID 67077417) has the molecular formula C26H23NO8 and a molecular weight of 477.47 g/mol. Its IUPAC name is [6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl] phenyl carbonate.

Molecular Properties

Compound Name[6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl] phenyl carbonate
PubChem CID67077417
Molecular FormulaC26H23NO8
Molecular Weight477.47 g/mol
Exact Mass477.14
IUPAC Name[6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl] phenyl carbonate
SMILESCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)cn(OC(=O)Oc3ccccc3)c2c1
InChIInChI=1S/C26H23NO8/c1-30-18-10-11-19-20(24(28)16-12-22(31-2)25(33-4)23(13-16)32-3)15-27(21(19)14-18)35-26(29)34-17-8-6-5-7-9-17/h5-15H,1-4H3
InChIKeySTNFQOPTOCNPNJ-UHFFFAOYSA-N
XLogP4.53
TPSA94.45 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.47
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl [6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl] carbonate
CID 67077480
[1-(6-hydroxyhexyl)-6-methoxyindol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 45270426
[1-(3-methoxyphenyl)-4-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 155522430
(3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 10902719
9H-fluoren-9-ylmethyl N-[2-[6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl]-2-oxoethyl]carbamate
CID 11678920
(4-benzoylphenyl) 3,4,5-trimethoxybenzoate
CID 2678942
3-(3,4,5-trimethoxybenzoyl)pyridine-2-carboxylic acid
CID 139864316
(2-benzoyl-4,6-dimethoxyphenyl) benzoate
CID 141250031
(4-methoxy-2-nitrophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 11100097
[4-phenyl-1-(3,4,5-trimethoxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 155525980
(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

Frequently Asked Questions

What is the IUPAC name of [6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl] phenyl carbonate?
The IUPAC name of [6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl] phenyl carbonate (CID 67077417) is [6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl] phenyl carbonate.
What is the SMILES notation for [6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl] phenyl carbonate?
The canonical SMILES for [6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl] phenyl carbonate is COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)cn(OC(=O)Oc3ccccc3)c2c1.
What is the InChIKey of [6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl] phenyl carbonate?
The InChIKey is STNFQOPTOCNPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO8/c1-30-18-10-11-19-20(24(28)16-12-22(31-2)25(33-4)23(13-16)32-3)15-27(21(19)14-18)35-26(29)34-17-8-6-5-7-9-17/h5-15H,1-4H3.
What are the key properties of [6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl] phenyl carbonate?
[6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl] phenyl carbonate has a molecular weight of 477.47 g/mol, XLogP of 4.53, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl] phenyl carbonate is sourced from PubChem (CID 67077417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).