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

C18H16FNO4 — CID 56646815

IUPAC(6-fluoro-1H-indol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cc3ccc(F)cc3[nH]2)cc(OC)c1OC
InChIInChI=1S/C18H16FNO4/c1-22-15-7-11(8-16(23-2)18(15)24-3)17(21)14-6-10-4-5-12(19)9-13(10)20-14/h4-9,20H,1-3H3
InChIKeyCSQDDJBZMQDWIM-UHFFFAOYSA-N
MW329.33 g/mol
LogP3.56
Rot. Bonds5

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

(6-fluoro-1H-indol-2-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 56646815) has the molecular formula C18H16FNO4 and a molecular weight of 329.33 g/mol. Its IUPAC name is (6-fluoro-1H-indol-2-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(6-fluoro-1H-indol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID56646815
Molecular FormulaC18H16FNO4
Molecular Weight329.33 g/mol
Exact Mass329.11
IUPAC Name(6-fluoro-1H-indol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cc3ccc(F)cc3[nH]2)cc(OC)c1OC
InChIInChI=1S/C18H16FNO4/c1-22-15-7-11(8-16(23-2)18(15)24-3)17(21)14-6-10-4-5-12(19)9-13(10)20-14/h4-9,20H,1-3H3
InChIKeyCSQDDJBZMQDWIM-UHFFFAOYSA-N
XLogP3.56
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6-fluoro-1H-indol-2-yl)-(3,4,5-trimethoxyphenyl)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

N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3,4,5-trimethoxybenzamide
CID 135836838
(3-fluoro-4-methoxyphenyl)-(5,6,7-trimethoxy-1H-indol-2-yl)methanone
CID 51032771
(3-fluoro-5-methylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 146006913
1H-indol-2-yl-(4-methoxy-1H-indol-2-yl)methanone
CID 11543838
(6-fluoro-1H-indol-2-yl)methanol;methyl 6-fluoro-1H-indole-2-carboxylate
CID 165084433
(3,4-difluorophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 146006227
2-bromo-1-(6-fluoro-1H-indol-2-yl)ethanone
CID 131008440
6-fluoro-4-methoxy-1H-indole-2-carboxylic acid
CID 67227038
4-(4-fluorophenoxy)-3,5-dimethoxybenzoic acid
CID 170440928
(5-fluoroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 11267473
(4-amino-3-fluorophenyl)-(9-methoxy-3H-benzo[e]indol-2-yl)methanone
CID 53374734
6-fluoro-N-(2-methoxyethyl)-N-pyrimidin-2-yl-1H-indole-2-carboxamide
CID 166475944

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1H-indol-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (6-fluoro-1H-indol-2-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 56646815) is (6-fluoro-1H-indol-2-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (6-fluoro-1H-indol-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (6-fluoro-1H-indol-2-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cc3ccc(F)cc3[nH]2)cc(OC)c1OC.
What is the InChIKey of (6-fluoro-1H-indol-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is CSQDDJBZMQDWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO4/c1-22-15-7-11(8-16(23-2)18(15)24-3)17(21)14-6-10-4-5-12(19)9-13(10)20-14/h4-9,20H,1-3H3.
What are the key properties of (6-fluoro-1H-indol-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
(6-fluoro-1H-indol-2-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 329.33 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1H-indol-2-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 56646815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).