(3-fluoro-4-methoxyphenyl)-(5,6,7-trimethoxy-1-methylindol-3-yl)methanone

C20H20FNO5 — CID 71575426

IUPAC(3-fluoro-4-methoxyphenyl)-(5,6,7-trimethoxy-1-methylindol-3-yl)methanone
SMILESCOc1ccc(C(=O)c2cn(C)c3c(OC)c(OC)c(OC)cc23)cc1F
InChIInChI=1S/C20H20FNO5/c1-22-10-13(18(23)11-6-7-15(24-2)14(21)8-11)12-9-16(25-3)19(26-4)20(27-5)17(12)22/h6-10H,1-5H3
InChIKeyAHAHGRQXIPKMTI-UHFFFAOYSA-N
MW373.38 g/mol
LogP3.58
Rot. Bonds6

About (3-fluoro-4-methoxyphenyl)-(5,6,7-trimethoxy-1-methylindol-3-yl)methanone

(3-fluoro-4-methoxyphenyl)-(5,6,7-trimethoxy-1-methylindol-3-yl)methanone (PubChem CID 71575426) has the molecular formula C20H20FNO5 and a molecular weight of 373.38 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-(5,6,7-trimethoxy-1-methylindol-3-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-(5,6,7-trimethoxy-1-methylindol-3-yl)methanone
PubChem CID71575426
Molecular FormulaC20H20FNO5
Molecular Weight373.38 g/mol
Exact Mass373.13
IUPAC Name(3-fluoro-4-methoxyphenyl)-(5,6,7-trimethoxy-1-methylindol-3-yl)methanone
SMILESCOc1ccc(C(=O)c2cn(C)c3c(OC)c(OC)c(OC)cc23)cc1F
InChIInChI=1S/C20H20FNO5/c1-22-10-13(18(23)11-6-7-15(24-2)14(21)8-11)12-9-16(25-3)19(26-4)20(27-5)17(12)22/h6-10H,1-5H3
InChIKeyAHAHGRQXIPKMTI-UHFFFAOYSA-N
XLogP3.58
TPSA58.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-(5,6,7-trimethoxy-1-methylindol-3-yl)methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-(5,6,7-trimethoxy-1-methylindol-3-yl)methanone (CID 71575426) is (3-fluoro-4-methoxyphenyl)-(5,6,7-trimethoxy-1-methylindol-3-yl)methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-(5,6,7-trimethoxy-1-methylindol-3-yl)methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-(5,6,7-trimethoxy-1-methylindol-3-yl)methanone is COc1ccc(C(=O)c2cn(C)c3c(OC)c(OC)c(OC)cc23)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-(5,6,7-trimethoxy-1-methylindol-3-yl)methanone?
The InChIKey is AHAHGRQXIPKMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO5/c1-22-10-13(18(23)11-6-7-15(24-2)14(21)8-11)12-9-16(25-3)19(26-4)20(27-5)17(12)22/h6-10H,1-5H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-(5,6,7-trimethoxy-1-methylindol-3-yl)methanone?
(3-fluoro-4-methoxyphenyl)-(5,6,7-trimethoxy-1-methylindol-3-yl)methanone has a molecular weight of 373.38 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-(5,6,7-trimethoxy-1-methylindol-3-yl)methanone is sourced from PubChem (CID 71575426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).