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

C19H19NO5 — CID 10359957

IUPAC(6-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c[nH]c2c1
InChIInChI=1S/C19H19NO5/c1-22-12-5-6-13-14(10-20-15(13)9-12)18(21)11-7-16(23-2)19(25-4)17(8-11)24-3/h5-10,20H,1-4H3
InChIKeyUZJVBXKFBQNDTQ-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.43
Rot. Bonds6

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

(6-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 10359957) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is (6-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(6-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID10359957
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name(6-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c[nH]c2c1
InChIInChI=1S/C19H19NO5/c1-22-12-5-6-13-14(10-20-15(13)9-12)18(21)11-7-16(23-2)19(25-4)17(8-11)24-3/h5-10,20H,1-4H3
InChIKeyUZJVBXKFBQNDTQ-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 (6-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (6-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 10359957) is (6-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (6-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (6-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c[nH]c2c1.
What is the InChIKey of (6-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is UZJVBXKFBQNDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-22-12-5-6-13-14(10-20-15(13)9-12)18(21)11-7-16(23-2)19(25-4)17(8-11)24-3/h5-10,20H,1-4H3.
What are the key properties of (6-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
(6-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 (6-methoxy-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 10359957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).