1-ethyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol

C15H23NO4 — CID 20617277

IUPAC1-ethyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol
SMILESCCC1NCC(O)c2c(OC)c(C)c(OC)c(OC)c21
InChIInChI=1S/C15H23NO4/c1-6-9-11-12(10(17)7-16-9)13(18-3)8(2)14(19-4)15(11)20-5/h9-10,16-17H,6-7H2,1-5H3
InChIKeyJKZGYZRYCVJNHJ-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.11
Rot. Bonds4

About 1-ethyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol

1-ethyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol (PubChem CID 20617277) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 1-ethyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol.

Molecular Properties

Compound Name1-ethyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol
PubChem CID20617277
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name1-ethyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol
SMILESCCC1NCC(O)c2c(OC)c(C)c(OC)c(OC)c21
InChIInChI=1S/C15H23NO4/c1-6-9-11-12(10(17)7-16-9)13(18-3)8(2)14(19-4)15(11)20-5/h9-10,16-17H,6-7H2,1-5H3
InChIKeyJKZGYZRYCVJNHJ-UHFFFAOYSA-N
XLogP2.11
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol with MolForge

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Related Compounds

(9R)-5-methoxy-4-methyl-9-(phenylmethoxymethyl)-6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinolin-6-ol
CID 11348861
(3S)-3,6-dihydroxy-4-methoxy-5-methyl-2,3-dihydroinden-1-one
CID 169491606
methyl (4S)-4-[(1R,4S)-5,6,8-trimethoxy-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]pentanoate
CID 70895453
5-(3-methoxy-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine-3-carboxylic acid
CID 117488531
5-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid
CID 117117034
3-(4-chloro-2,5-dimethoxy-3,6-dimethylphenyl)piperidine
CID 117456300
1-ethyl-7-methoxy-2,3-dihydro-1H-isoindole
CID 84732148
(9R)-4-methyl-9-(phenylmethoxymethyl)-5-prop-2-enoxy-6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinolin-6-ol
CID 11653852
2-methoxy-4,6-dimethylbenzene-1,3,5-triol
CID 86718657
[(1R,2S,4S)-1-[(E)-but-2-enyl]-5,6,8-trimethoxy-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]oxy-tert-butyl-dimethylsilane
CID 11327992
1-ethyl-7-methoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline
CID 64689174
3-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)piperidine
CID 117116459

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol?
The IUPAC name of 1-ethyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol (CID 20617277) is 1-ethyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol.
What is the SMILES notation for 1-ethyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol?
The canonical SMILES for 1-ethyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol is CCC1NCC(O)c2c(OC)c(C)c(OC)c(OC)c21.
What is the InChIKey of 1-ethyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol?
The InChIKey is JKZGYZRYCVJNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-6-9-11-12(10(17)7-16-9)13(18-3)8(2)14(19-4)15(11)20-5/h9-10,16-17H,6-7H2,1-5H3.
What are the key properties of 1-ethyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol?
1-ethyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol has a molecular weight of 281.35 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol is sourced from PubChem (CID 20617277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).