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

C18H16FNO4 — CID 10381899

IUPAC(6-fluoro-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c[nH]c3cc(F)ccc23)cc(OC)c1OC
InChIInChI=1S/C18H16FNO4/c1-22-15-6-10(7-16(23-2)18(15)24-3)17(21)13-9-20-14-8-11(19)4-5-12(13)14/h4-9,20H,1-3H3
InChIKeyLCGWNIJLEDASEC-UHFFFAOYSA-N
MW329.33 g/mol
LogP3.56
Rot. Bonds5

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

(6-fluoro-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 10381899) has the molecular formula C18H16FNO4 and a molecular weight of 329.33 g/mol. Its IUPAC name is (6-fluoro-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(6-fluoro-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID10381899
Molecular FormulaC18H16FNO4
Molecular Weight329.33 g/mol
Exact Mass329.11
IUPAC Name(6-fluoro-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c[nH]c3cc(F)ccc23)cc(OC)c1OC
InChIInChI=1S/C18H16FNO4/c1-22-15-6-10(7-16(23-2)18(15)24-3)17(21)13-9-20-14-8-11(19)4-5-12(13)14/h4-9,20H,1-3H3
InChIKeyLCGWNIJLEDASEC-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

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (6-fluoro-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 10381899) is (6-fluoro-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (6-fluoro-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (6-fluoro-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2c[nH]c3cc(F)ccc23)cc(OC)c1OC.
What is the InChIKey of (6-fluoro-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is LCGWNIJLEDASEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO4/c1-22-15-6-10(7-16(23-2)18(15)24-3)17(21)13-9-20-14-8-11(19)4-5-12(13)14/h4-9,20H,1-3H3.
What are the key properties of (6-fluoro-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
(6-fluoro-1H-indol-3-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-3-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 10381899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).