(5-fluoroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone

C18H16FNO4 — CID 11267473

IUPAC(5-fluoroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)n2ccc3cc(F)ccc32)cc(OC)c1OC
InChIInChI=1S/C18H16FNO4/c1-22-15-9-12(10-16(23-2)17(15)24-3)18(21)20-7-6-11-8-13(19)4-5-14(11)20/h4-10H,1-3H3
InChIKeyAXWJHPVIOCBDDX-UHFFFAOYSA-N
MW329.33 g/mol
LogP3.49
Rot. Bonds4

About (5-fluoroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone

(5-fluoroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 11267473) has the molecular formula C18H16FNO4 and a molecular weight of 329.33 g/mol. Its IUPAC name is (5-fluoroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(5-fluoroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID11267473
Molecular FormulaC18H16FNO4
Molecular Weight329.33 g/mol
Exact Mass329.11
IUPAC Name(5-fluoroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)n2ccc3cc(F)ccc32)cc(OC)c1OC
InChIInChI=1S/C18H16FNO4/c1-22-15-9-12(10-16(23-2)17(15)24-3)18(21)20-7-6-11-8-13(19)4-5-14(11)20/h4-10H,1-3H3
InChIKeyAXWJHPVIOCBDDX-UHFFFAOYSA-N
XLogP3.49
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-fluoroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (5-fluoroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 11267473) is (5-fluoroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (5-fluoroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (5-fluoroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)n2ccc3cc(F)ccc32)cc(OC)c1OC.
What is the InChIKey of (5-fluoroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is AXWJHPVIOCBDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO4/c1-22-15-9-12(10-16(23-2)17(15)24-3)18(21)20-7-6-11-8-13(19)4-5-14(11)20/h4-10H,1-3H3.
What are the key properties of (5-fluoroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
(5-fluoroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 329.33 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoroindol-1-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 11267473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).