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

C19H19NO5 — CID 11824033

IUPAC(5-methoxy-1H-indol-2-yl)-(2,3,4-trimethoxyphenyl)methanone
SMILESCOc1ccc2[nH]c(C(=O)c3ccc(OC)c(OC)c3OC)cc2c1
InChIInChI=1S/C19H19NO5/c1-22-12-5-7-14-11(9-12)10-15(20-14)17(21)13-6-8-16(23-2)19(25-4)18(13)24-3/h5-10,20H,1-4H3
InChIKeyCMCXBPVNGMMGFC-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.43
Rot. Bonds6

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

(5-methoxy-1H-indol-2-yl)-(2,3,4-trimethoxyphenyl)methanone (PubChem CID 11824033) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is (5-methoxy-1H-indol-2-yl)-(2,3,4-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(5-methoxy-1H-indol-2-yl)-(2,3,4-trimethoxyphenyl)methanone
PubChem CID11824033
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name(5-methoxy-1H-indol-2-yl)-(2,3,4-trimethoxyphenyl)methanone
SMILESCOc1ccc2[nH]c(C(=O)c3ccc(OC)c(OC)c3OC)cc2c1
InChIInChI=1S/C19H19NO5/c1-22-12-5-7-14-11(9-12)10-15(20-14)17(21)13-6-8-16(23-2)19(25-4)18(13)24-3/h5-10,20H,1-4H3
InChIKeyCMCXBPVNGMMGFC-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 (5-methoxy-1H-indol-2-yl)-(2,3,4-trimethoxyphenyl)methanone?
The IUPAC name of (5-methoxy-1H-indol-2-yl)-(2,3,4-trimethoxyphenyl)methanone (CID 11824033) is (5-methoxy-1H-indol-2-yl)-(2,3,4-trimethoxyphenyl)methanone.
What is the SMILES notation for (5-methoxy-1H-indol-2-yl)-(2,3,4-trimethoxyphenyl)methanone?
The canonical SMILES for (5-methoxy-1H-indol-2-yl)-(2,3,4-trimethoxyphenyl)methanone is COc1ccc2[nH]c(C(=O)c3ccc(OC)c(OC)c3OC)cc2c1.
What is the InChIKey of (5-methoxy-1H-indol-2-yl)-(2,3,4-trimethoxyphenyl)methanone?
The InChIKey is CMCXBPVNGMMGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-22-12-5-7-14-11(9-12)10-15(20-14)17(21)13-6-8-16(23-2)19(25-4)18(13)24-3/h5-10,20H,1-4H3.
What are the key properties of (5-methoxy-1H-indol-2-yl)-(2,3,4-trimethoxyphenyl)methanone?
(5-methoxy-1H-indol-2-yl)-(2,3,4-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 (5-methoxy-1H-indol-2-yl)-(2,3,4-trimethoxyphenyl)methanone is sourced from PubChem (CID 11824033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).