(1R)-2-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-(4-methoxyphenyl)ethanol

C20H25NO4 — CID 10617348

IUPAC(1R)-2-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc([C@H](O)C[C@H]2NCCc3cc(OC)c(OC)cc32)cc1
InChIInChI=1S/C20H25NO4/c1-23-15-6-4-13(5-7-15)18(22)12-17-16-11-20(25-3)19(24-2)10-14(16)8-9-21-17/h4-7,10-11,17-18,21-22H,8-9,12H2,1-3H3/t17-,18-/m1/s1
InChIKeyLFUXIUBCWODHDF-QZTJIDSGSA-N
MW343.42 g/mol
LogP3.02
Rot. Bonds6

About (1R)-2-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-(4-methoxyphenyl)ethanol

(1R)-2-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-(4-methoxyphenyl)ethanol (PubChem CID 10617348) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is (1R)-2-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-(4-methoxyphenyl)ethanol
PubChem CID10617348
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name(1R)-2-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc([C@H](O)C[C@H]2NCCc3cc(OC)c(OC)cc32)cc1
InChIInChI=1S/C20H25NO4/c1-23-15-6-4-13(5-7-15)18(22)12-17-16-11-20(25-3)19(24-2)10-14(16)8-9-21-17/h4-7,10-11,17-18,21-22H,8-9,12H2,1-3H3/t17-,18-/m1/s1
InChIKeyLFUXIUBCWODHDF-QZTJIDSGSA-N
XLogP3.02
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1R)-2-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-(4-methoxyphenyl)ethanol with MolForge

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Related Compounds

(2S)-1-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]propan-2-ol
CID 101016948
(1S)-6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 10969027
6,7-dimethoxy-1-(2-methylbutyl)-1,2,3,4-tetrahydroisoquinoline
CID 106778754
(1S)-1-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 12665035
7-ethoxy-6-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 166067832
2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]ethanol
CID 7157311
(1R)-7-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 7055406
1,3-bis(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)propan-2-one
CID 54506652
1-[(2-bromo-5-methoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 14116524
1-[(4-chlorophenoxy)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 10065439
6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 22643314
(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 688594

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-(4-methoxyphenyl)ethanol?
The IUPAC name of (1R)-2-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-(4-methoxyphenyl)ethanol (CID 10617348) is (1R)-2-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for (1R)-2-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for (1R)-2-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-(4-methoxyphenyl)ethanol is COc1ccc([C@H](O)C[C@H]2NCCc3cc(OC)c(OC)cc32)cc1.
What is the InChIKey of (1R)-2-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-(4-methoxyphenyl)ethanol?
The InChIKey is LFUXIUBCWODHDF-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H25NO4/c1-23-15-6-4-13(5-7-15)18(22)12-17-16-11-20(25-3)19(24-2)10-14(16)8-9-21-17/h4-7,10-11,17-18,21-22H,8-9,12H2,1-3H3/t17-,18-/m1/s1.
What are the key properties of (1R)-2-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-(4-methoxyphenyl)ethanol?
(1R)-2-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-(4-methoxyphenyl)ethanol has a molecular weight of 343.42 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 10617348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).