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

C19H19NO5 — CID 10449980

IUPAC(4-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c[nH]c3cccc(OC)c23)cc(OC)c1OC
InChIInChI=1S/C19H19NO5/c1-22-14-7-5-6-13-17(14)12(10-20-13)18(21)11-8-15(23-2)19(25-4)16(9-11)24-3/h5-10,20H,1-4H3
InChIKeyHAEDBUQFTZLLGP-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.43
Rot. Bonds6

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

(4-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 10449980) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is (4-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID10449980
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name(4-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c[nH]c3cccc(OC)c23)cc(OC)c1OC
InChIInChI=1S/C19H19NO5/c1-22-14-7-5-6-13-17(14)12(10-20-13)18(21)11-8-15(23-2)19(25-4)16(9-11)24-3/h5-10,20H,1-4H3
InChIKeyHAEDBUQFTZLLGP-UHFFFAOYSA-N
XLogP3.43
TPSA69.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (4-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 10449980) is (4-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (4-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (4-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2c[nH]c3cccc(OC)c23)cc(OC)c1OC.
What is the InChIKey of (4-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is HAEDBUQFTZLLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-22-14-7-5-6-13-17(14)12(10-20-13)18(21)11-8-15(23-2)19(25-4)16(9-11)24-3/h5-10,20H,1-4H3.
What are the key properties of (4-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
(4-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 341.36 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 10449980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).