(2-hydroxy-3,4,5-trimethoxyphenyl)-(1-methylindol-4-yl)methanone

C19H19NO5 — CID 122182221

IUPAC(2-hydroxy-3,4,5-trimethoxyphenyl)-(1-methylindol-4-yl)methanone
SMILESCOc1cc(C(=O)c2cccc3c2ccn3C)c(O)c(OC)c1OC
InChIInChI=1S/C19H19NO5/c1-20-9-8-11-12(6-5-7-14(11)20)16(21)13-10-15(23-2)18(24-3)19(25-4)17(13)22/h5-10,22H,1-4H3
InChIKeyRQJPASTYYAJBDJ-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.14
Rot. Bonds5

About (2-hydroxy-3,4,5-trimethoxyphenyl)-(1-methylindol-4-yl)methanone

(2-hydroxy-3,4,5-trimethoxyphenyl)-(1-methylindol-4-yl)methanone (PubChem CID 122182221) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is (2-hydroxy-3,4,5-trimethoxyphenyl)-(1-methylindol-4-yl)methanone.

Molecular Properties

Compound Name(2-hydroxy-3,4,5-trimethoxyphenyl)-(1-methylindol-4-yl)methanone
PubChem CID122182221
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name(2-hydroxy-3,4,5-trimethoxyphenyl)-(1-methylindol-4-yl)methanone
SMILESCOc1cc(C(=O)c2cccc3c2ccn3C)c(O)c(OC)c1OC
InChIInChI=1S/C19H19NO5/c1-20-9-8-11-12(6-5-7-14(11)20)16(21)13-10-15(23-2)18(24-3)19(25-4)17(13)22/h5-10,22H,1-4H3
InChIKeyRQJPASTYYAJBDJ-UHFFFAOYSA-N
XLogP3.14
TPSA69.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2-hydroxy-3,4,5-trimethoxyphenyl)-(1-methylindol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6-hydroxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 10449104
(4-hydroxy-3,5-dimethoxyphenyl)(6-methoxy-1H-indol-3-yl)methanone
CID 11645570
(1-methyl-1H-indol-5-yl)-(3,4,5-trimethoxy-phenyl)-methanone
CID 17756418
3,4,5-Trimethoxy-15-methyl-15-azatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2,4,6,12(16),13,17-heptaen-10-one
CID 71469541
(E)-3-(Indol-3-yl)-1-(3,4,5-trimethoxyphenyl)-2-propen-1-one
CID 9927763
[6-Methoxy-1-(pyridin-4-ylmethyl)indol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 10071452
5-Methoxy-1-(3,4,5-trimethoxybenzoyl)indole
CID 10405034
(1-Ethyl-6-methoxyindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 10406781
(6-Methoxy-1-methylindol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 10450844
(E)-3-(1-Methylindol-3-yl)-1-(3,4,5-trimethoxyphenyl)-2-propen-1-one
CID 15432603
1H-indol-3-yl-(3,4,5-trimethoxyphenyl)methanone
CID 17756318
(1H-Indol-4-yl)(3,4,5-trimethoxyphenyl)methanone
CID 17756522

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3,4,5-trimethoxyphenyl)-(1-methylindol-4-yl)methanone?
The IUPAC name of (2-hydroxy-3,4,5-trimethoxyphenyl)-(1-methylindol-4-yl)methanone (CID 122182221) is (2-hydroxy-3,4,5-trimethoxyphenyl)-(1-methylindol-4-yl)methanone.
What is the SMILES notation for (2-hydroxy-3,4,5-trimethoxyphenyl)-(1-methylindol-4-yl)methanone?
The canonical SMILES for (2-hydroxy-3,4,5-trimethoxyphenyl)-(1-methylindol-4-yl)methanone is COc1cc(C(=O)c2cccc3c2ccn3C)c(O)c(OC)c1OC.
What is the InChIKey of (2-hydroxy-3,4,5-trimethoxyphenyl)-(1-methylindol-4-yl)methanone?
The InChIKey is RQJPASTYYAJBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-20-9-8-11-12(6-5-7-14(11)20)16(21)13-10-15(23-2)18(24-3)19(25-4)17(13)22/h5-10,22H,1-4H3.
What are the key properties of (2-hydroxy-3,4,5-trimethoxyphenyl)-(1-methylindol-4-yl)methanone?
(2-hydroxy-3,4,5-trimethoxyphenyl)-(1-methylindol-4-yl)methanone has a molecular weight of 341.36 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3,4,5-trimethoxyphenyl)-(1-methylindol-4-yl)methanone is sourced from PubChem (CID 122182221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).