1-(4-ethoxy-3-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

C20H25NO4 — CID 3364645

IUPAC1-(4-ethoxy-3-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCCOc1ccc(C2NCCc3cc(OC)c(OC)cc32)cc1OC
InChIInChI=1S/C20H25NO4/c1-5-25-16-7-6-14(11-17(16)22-2)20-15-12-19(24-4)18(23-3)10-13(15)8-9-21-20/h6-7,10-12,20-21H,5,8-9H2,1-4H3
InChIKeyHOLPZWWASQLEHI-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.35
Rot. Bonds6

About 1-(4-ethoxy-3-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

1-(4-ethoxy-3-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 3364645) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 1-(4-ethoxy-3-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-(4-ethoxy-3-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID3364645
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name1-(4-ethoxy-3-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCCOc1ccc(C2NCCc3cc(OC)c(OC)cc32)cc1OC
InChIInChI=1S/C20H25NO4/c1-5-25-16-7-6-14(11-17(16)22-2)20-15-12-19(24-4)18(23-3)10-13(15)8-9-21-20/h6-7,10-12,20-21H,5,8-9H2,1-4H3
InChIKeyHOLPZWWASQLEHI-UHFFFAOYSA-N
XLogP3.35
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-(4-ethoxy-3-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline (CID 3364645) is 1-(4-ethoxy-3-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-(4-ethoxy-3-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-(4-ethoxy-3-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline is CCOc1ccc(C2NCCc3cc(OC)c(OC)cc32)cc1OC.
What is the InChIKey of 1-(4-ethoxy-3-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is HOLPZWWASQLEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-5-25-16-7-6-14(11-17(16)22-2)20-15-12-19(24-4)18(23-3)10-13(15)8-9-21-20/h6-7,10-12,20-21H,5,8-9H2,1-4H3.
What are the key properties of 1-(4-ethoxy-3-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
1-(4-ethoxy-3-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 343.42 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 3364645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).