(2-hydroxy-3,4,5-trimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone

C19H19NO6 — CID 122182223

IUPAC(2-hydroxy-3,4,5-trimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone
SMILESCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3O)c[nH]c2c1
InChIInChI=1S/C19H19NO6/c1-23-10-5-6-11-13(9-20-14(11)7-10)16(21)12-8-15(24-2)18(25-3)19(26-4)17(12)22/h5-9,20,22H,1-4H3
InChIKeyMGNUPKWPPHHAMF-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.14
Rot. Bonds6

About (2-hydroxy-3,4,5-trimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone

(2-hydroxy-3,4,5-trimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone (PubChem CID 122182223) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is (2-hydroxy-3,4,5-trimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2-hydroxy-3,4,5-trimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone
PubChem CID122182223
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Name(2-hydroxy-3,4,5-trimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone
SMILESCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3O)c[nH]c2c1
InChIInChI=1S/C19H19NO6/c1-23-10-5-6-11-13(9-20-14(11)7-10)16(21)12-8-15(24-2)18(25-3)19(26-4)17(12)22/h5-9,20,22H,1-4H3
InChIKeyMGNUPKWPPHHAMF-UHFFFAOYSA-N
XLogP3.14
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3,4,5-trimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone?
The IUPAC name of (2-hydroxy-3,4,5-trimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone (CID 122182223) is (2-hydroxy-3,4,5-trimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone.
What is the SMILES notation for (2-hydroxy-3,4,5-trimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone?
The canonical SMILES for (2-hydroxy-3,4,5-trimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone is COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3O)c[nH]c2c1.
What is the InChIKey of (2-hydroxy-3,4,5-trimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone?
The InChIKey is MGNUPKWPPHHAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6/c1-23-10-5-6-11-13(9-20-14(11)7-10)16(21)12-8-15(24-2)18(25-3)19(26-4)17(12)22/h5-9,20,22H,1-4H3.
What are the key properties of (2-hydroxy-3,4,5-trimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone?
(2-hydroxy-3,4,5-trimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone has a molecular weight of 357.36 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3,4,5-trimethoxyphenyl)-(6-methoxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 122182223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).