1-(1-benzofuran-5-yl)-4,5,6-trimethoxyindole

C19H17NO4 — CID 54768185

IUPAC1-(1-benzofuran-5-yl)-4,5,6-trimethoxyindole
SMILESCOc1cc2c(ccn2-c2ccc3occc3c2)c(OC)c1OC
InChIInChI=1S/C19H17NO4/c1-21-17-11-15-14(18(22-2)19(17)23-3)6-8-20(15)13-4-5-16-12(10-13)7-9-24-16/h4-11H,1-3H3
InChIKeyYMGMXPZFHZLZCX-UHFFFAOYSA-N
MW323.35 g/mol
LogP4.40
Rot. Bonds4

About 1-(1-benzofuran-5-yl)-4,5,6-trimethoxyindole

1-(1-benzofuran-5-yl)-4,5,6-trimethoxyindole (PubChem CID 54768185) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 1-(1-benzofuran-5-yl)-4,5,6-trimethoxyindole.

Molecular Properties

Compound Name1-(1-benzofuran-5-yl)-4,5,6-trimethoxyindole
PubChem CID54768185
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name1-(1-benzofuran-5-yl)-4,5,6-trimethoxyindole
SMILESCOc1cc2c(ccn2-c2ccc3occc3c2)c(OC)c1OC
InChIInChI=1S/C19H17NO4/c1-21-17-11-15-14(18(22-2)19(17)23-3)6-8-20(15)13-4-5-16-12(10-13)7-9-24-16/h4-11H,1-3H3
InChIKeyYMGMXPZFHZLZCX-UHFFFAOYSA-N
XLogP4.40
TPSA45.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-5-yl)-4,5,6-trimethoxyindole?
The IUPAC name of 1-(1-benzofuran-5-yl)-4,5,6-trimethoxyindole (CID 54768185) is 1-(1-benzofuran-5-yl)-4,5,6-trimethoxyindole.
What is the SMILES notation for 1-(1-benzofuran-5-yl)-4,5,6-trimethoxyindole?
The canonical SMILES for 1-(1-benzofuran-5-yl)-4,5,6-trimethoxyindole is COc1cc2c(ccn2-c2ccc3occc3c2)c(OC)c1OC.
What is the InChIKey of 1-(1-benzofuran-5-yl)-4,5,6-trimethoxyindole?
The InChIKey is YMGMXPZFHZLZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-21-17-11-15-14(18(22-2)19(17)23-3)6-8-20(15)13-4-5-16-12(10-13)7-9-24-16/h4-11H,1-3H3.
What are the key properties of 1-(1-benzofuran-5-yl)-4,5,6-trimethoxyindole?
1-(1-benzofuran-5-yl)-4,5,6-trimethoxyindole has a molecular weight of 323.35 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-5-yl)-4,5,6-trimethoxyindole is sourced from PubChem (CID 54768185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).