6-methoxy-7-phenylmethoxy-1-(2-phenylmethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline

C30H29NO3 — CID 4026358

IUPAC6-methoxy-7-phenylmethoxy-1-(2-phenylmethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(cc1OCc1ccccc1)C(c1ccccc1OCc1ccccc1)NCC2
InChIInChI=1S/C30H29NO3/c1-32-28-18-24-16-17-31-30(26(24)19-29(28)34-21-23-12-6-3-7-13-23)25-14-8-9-15-27(25)33-20-22-10-4-2-5-11-22/h2-15,18-19,30-31H,16-17,20-21H2,1H3
InChIKeyHQSXHEDIICGJAC-UHFFFAOYSA-N
MW451.57 g/mol
LogP6.09
Rot. Bonds8

About 6-methoxy-7-phenylmethoxy-1-(2-phenylmethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline

6-methoxy-7-phenylmethoxy-1-(2-phenylmethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 4026358) has the molecular formula C30H29NO3 and a molecular weight of 451.57 g/mol. Its IUPAC name is 6-methoxy-7-phenylmethoxy-1-(2-phenylmethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-methoxy-7-phenylmethoxy-1-(2-phenylmethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID4026358
Molecular FormulaC30H29NO3
Molecular Weight451.57 g/mol
Exact Mass451.21
IUPAC Name6-methoxy-7-phenylmethoxy-1-(2-phenylmethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(cc1OCc1ccccc1)C(c1ccccc1OCc1ccccc1)NCC2
InChIInChI=1S/C30H29NO3/c1-32-28-18-24-16-17-31-30(26(24)19-29(28)34-21-23-12-6-3-7-13-23)25-14-8-9-15-27(25)33-20-22-10-4-2-5-11-22/h2-15,18-19,30-31H,16-17,20-21H2,1H3
InChIKeyHQSXHEDIICGJAC-UHFFFAOYSA-N
XLogP6.09
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methoxy-7-phenylmethoxy-1-(2-phenylmethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

1-(2-ethoxy-3-methoxyphenyl)-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 4694196
1-(2,3-dichlorophenyl)-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3375652
7-ethoxy-6-methoxy-1-(3-methoxy-2-phenylmethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3933413
1-(2,5-dimethylphenyl)-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 5035966
1-(5-bromo-2,4-dimethoxyphenyl)-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 4240818
6-methoxy-7-phenylmethoxy-1-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3487799
7-methoxy-1-[2-(4-methoxy-3-phenylmethoxyphenyl)ethyl]-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 4523184
6-methoxy-1-[3-(2-phenylethoxy)phenyl]-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 4257573
1-(1,3-benzodioxol-5-yl)-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 5227811
1-(4,5-dimethoxy-2-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 5015514
6,7-dimethoxy-1-(phenylmethoxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 19610313
1-[(2,5-dimethoxyphenyl)methyl]-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 90073381

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7-phenylmethoxy-1-(2-phenylmethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-methoxy-7-phenylmethoxy-1-(2-phenylmethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline (CID 4026358) is 6-methoxy-7-phenylmethoxy-1-(2-phenylmethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-methoxy-7-phenylmethoxy-1-(2-phenylmethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-methoxy-7-phenylmethoxy-1-(2-phenylmethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline is COc1cc2c(cc1OCc1ccccc1)C(c1ccccc1OCc1ccccc1)NCC2.
What is the InChIKey of 6-methoxy-7-phenylmethoxy-1-(2-phenylmethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is HQSXHEDIICGJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO3/c1-32-28-18-24-16-17-31-30(26(24)19-29(28)34-21-23-12-6-3-7-13-23)25-14-8-9-15-27(25)33-20-22-10-4-2-5-11-22/h2-15,18-19,30-31H,16-17,20-21H2,1H3.
What are the key properties of 6-methoxy-7-phenylmethoxy-1-(2-phenylmethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline?
6-methoxy-7-phenylmethoxy-1-(2-phenylmethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 451.57 g/mol, XLogP of 6.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-7-phenylmethoxy-1-(2-phenylmethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 4026358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).