(5,6-dimethoxyindol-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone

C18H17NO5 — CID 10381778

IUPAC(5,6-dimethoxyindol-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone
SMILESCOc1cc2ccn(C(=O)c3cccc(OC)c3O)c2cc1OC
InChIInChI=1S/C18H17NO5/c1-22-14-6-4-5-12(17(14)20)18(21)19-8-7-11-9-15(23-2)16(24-3)10-13(11)19/h4-10,20H,1-3H3
InChIKeyFBEOPDDFDMZEEJ-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.06
Rot. Bonds4

About (5,6-dimethoxyindol-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone

(5,6-dimethoxyindol-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone (PubChem CID 10381778) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is (5,6-dimethoxyindol-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5,6-dimethoxyindol-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone
PubChem CID10381778
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Name(5,6-dimethoxyindol-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone
SMILESCOc1cc2ccn(C(=O)c3cccc(OC)c3O)c2cc1OC
InChIInChI=1S/C18H17NO5/c1-22-14-6-4-5-12(17(14)20)18(21)19-8-7-11-9-15(23-2)16(24-3)10-13(11)19/h4-10,20H,1-3H3
InChIKeyFBEOPDDFDMZEEJ-UHFFFAOYSA-N
XLogP3.06
TPSA69.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5,6-dimethoxyindol-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone?
The IUPAC name of (5,6-dimethoxyindol-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone (CID 10381778) is (5,6-dimethoxyindol-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone.
What is the SMILES notation for (5,6-dimethoxyindol-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone?
The canonical SMILES for (5,6-dimethoxyindol-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone is COc1cc2ccn(C(=O)c3cccc(OC)c3O)c2cc1OC.
What is the InChIKey of (5,6-dimethoxyindol-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone?
The InChIKey is FBEOPDDFDMZEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-22-14-6-4-5-12(17(14)20)18(21)19-8-7-11-9-15(23-2)16(24-3)10-13(11)19/h4-10,20H,1-3H3.
What are the key properties of (5,6-dimethoxyindol-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone?
(5,6-dimethoxyindol-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone has a molecular weight of 327.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethoxyindol-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone is sourced from PubChem (CID 10381778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).