2-methoxy-5-(4,5,6-trimethoxyindol-1-yl)phenol

C18H19NO5 — CID 54768181

IUPAC2-methoxy-5-(4,5,6-trimethoxyindol-1-yl)phenol
SMILESCOc1ccc(-n2ccc3c(OC)c(OC)c(OC)cc32)cc1O
InChIInChI=1S/C18H19NO5/c1-21-15-6-5-11(9-14(15)20)19-8-7-12-13(19)10-16(22-2)18(24-4)17(12)23-3/h5-10,20H,1-4H3
InChIKeyYBIKFKKPMZWZNA-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.37
Rot. Bonds5

About 2-methoxy-5-(4,5,6-trimethoxyindol-1-yl)phenol

2-methoxy-5-(4,5,6-trimethoxyindol-1-yl)phenol (PubChem CID 54768181) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is 2-methoxy-5-(4,5,6-trimethoxyindol-1-yl)phenol.

Molecular Properties

Compound Name2-methoxy-5-(4,5,6-trimethoxyindol-1-yl)phenol
PubChem CID54768181
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name2-methoxy-5-(4,5,6-trimethoxyindol-1-yl)phenol
SMILESCOc1ccc(-n2ccc3c(OC)c(OC)c(OC)cc32)cc1O
InChIInChI=1S/C18H19NO5/c1-21-15-6-5-11(9-14(15)20)19-8-7-12-13(19)10-16(22-2)18(24-4)17(12)23-3/h5-10,20H,1-4H3
InChIKeyYBIKFKKPMZWZNA-UHFFFAOYSA-N
XLogP3.37
TPSA62.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(4,5,6-trimethoxyindol-1-yl)phenol?
The IUPAC name of 2-methoxy-5-(4,5,6-trimethoxyindol-1-yl)phenol (CID 54768181) is 2-methoxy-5-(4,5,6-trimethoxyindol-1-yl)phenol.
What is the SMILES notation for 2-methoxy-5-(4,5,6-trimethoxyindol-1-yl)phenol?
The canonical SMILES for 2-methoxy-5-(4,5,6-trimethoxyindol-1-yl)phenol is COc1ccc(-n2ccc3c(OC)c(OC)c(OC)cc32)cc1O.
What is the InChIKey of 2-methoxy-5-(4,5,6-trimethoxyindol-1-yl)phenol?
The InChIKey is YBIKFKKPMZWZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-21-15-6-5-11(9-14(15)20)19-8-7-12-13(19)10-16(22-2)18(24-4)17(12)23-3/h5-10,20H,1-4H3.
What are the key properties of 2-methoxy-5-(4,5,6-trimethoxyindol-1-yl)phenol?
2-methoxy-5-(4,5,6-trimethoxyindol-1-yl)phenol has a molecular weight of 329.35 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(4,5,6-trimethoxyindol-1-yl)phenol is sourced from PubChem (CID 54768181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).