1-(2-methoxy-5-phenylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline

C29H27NO2 — CID 3473176

IUPAC1-(2-methoxy-5-phenylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc(-c2ccccc2)cc1C1NCCc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C29H27NO2/c1-31-28-15-12-23(22-10-6-3-7-11-22)19-27(28)29-26-14-13-25(18-24(26)16-17-30-29)32-20-21-8-4-2-5-9-21/h2-15,18-19,29-30H,16-17,20H2,1H3
InChIKeyPCJWXYXOCOJDOP-UHFFFAOYSA-N
MW421.54 g/mol
LogP6.18
Rot. Bonds6

About 1-(2-methoxy-5-phenylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline

1-(2-methoxy-5-phenylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 3473176) has the molecular formula C29H27NO2 and a molecular weight of 421.54 g/mol. Its IUPAC name is 1-(2-methoxy-5-phenylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-(2-methoxy-5-phenylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID3473176
Molecular FormulaC29H27NO2
Molecular Weight421.54 g/mol
Exact Mass421.20
IUPAC Name1-(2-methoxy-5-phenylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc(-c2ccccc2)cc1C1NCCc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C29H27NO2/c1-31-28-15-12-23(22-10-6-3-7-11-22)19-27(28)29-26-14-13-25(18-24(26)16-17-30-29)32-20-21-8-4-2-5-9-21/h2-15,18-19,29-30H,16-17,20H2,1H3
InChIKeyPCJWXYXOCOJDOP-UHFFFAOYSA-N
XLogP6.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-methoxy-5-phenylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

1-(2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3521561
6-methoxy-1-(2-methoxy-5-phenylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3623232
1-(4,5-dimethoxy-2-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 5015514
6,7-dimethoxy-1-(2-methoxy-5-phenylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3933411
1-(2-bromophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3596969
1-naphthalen-1-yl-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3925916
1-(4-methoxy-3,5-dimethylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3931164
1-(3-chloro-2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3964670
1-(2,6-dichlorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 4260900
2-[[1-(3-methoxy-4-phenylmethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-6-yl]oxy]-N,N-dimethylethanamine
CID 5021731
6-methoxy-7-phenylmethoxy-1-(2-phenylmethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 4026358
1-[3-[(4-chlorophenyl)methoxy]phenyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 5023309

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-phenylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-(2-methoxy-5-phenylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline (CID 3473176) is 1-(2-methoxy-5-phenylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-(2-methoxy-5-phenylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-(2-methoxy-5-phenylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline is COc1ccc(-c2ccccc2)cc1C1NCCc2cc(OCc3ccccc3)ccc21.
What is the InChIKey of 1-(2-methoxy-5-phenylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is PCJWXYXOCOJDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO2/c1-31-28-15-12-23(22-10-6-3-7-11-22)19-27(28)29-26-14-13-25(18-24(26)16-17-30-29)32-20-21-8-4-2-5-9-21/h2-15,18-19,29-30H,16-17,20H2,1H3.
What are the key properties of 1-(2-methoxy-5-phenylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline?
1-(2-methoxy-5-phenylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 421.54 g/mol, XLogP of 6.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-phenylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 3473176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).