(1R)-2-[(3-hydroxy-4-methoxyphenyl)methyl]-1-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol

C19H23NO5 — CID 100956100

IUPAC(1R)-2-[(3-hydroxy-4-methoxyphenyl)methyl]-1-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol
SMILESCOc1ccc(CN2CCc3cc(OC)c(O)cc3[C@@H]2CO)cc1O
InChIInChI=1S/C19H23NO5/c1-24-18-4-3-12(7-16(18)22)10-20-6-5-13-8-19(25-2)17(23)9-14(13)15(20)11-21/h3-4,7-9,15,21-23H,5-6,10-11H2,1-2H3/t15-/m0/s1
InChIKeyKASWWLAVGKFTQB-HNNXBMFYSA-N
MW345.40 g/mol
LogP2.21
Rot. Bonds5

About (1R)-2-[(3-hydroxy-4-methoxyphenyl)methyl]-1-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol

(1R)-2-[(3-hydroxy-4-methoxyphenyl)methyl]-1-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol (PubChem CID 100956100) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is (1R)-2-[(3-hydroxy-4-methoxyphenyl)methyl]-1-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol.

Molecular Properties

Compound Name(1R)-2-[(3-hydroxy-4-methoxyphenyl)methyl]-1-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol
PubChem CID100956100
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Name(1R)-2-[(3-hydroxy-4-methoxyphenyl)methyl]-1-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol
SMILESCOc1ccc(CN2CCc3cc(OC)c(O)cc3[C@@H]2CO)cc1O
InChIInChI=1S/C19H23NO5/c1-24-18-4-3-12(7-16(18)22)10-20-6-5-13-8-19(25-2)17(23)9-14(13)15(20)11-21/h3-4,7-9,15,21-23H,5-6,10-11H2,1-2H3/t15-/m0/s1
InChIKeyKASWWLAVGKFTQB-HNNXBMFYSA-N
XLogP2.21
TPSA82.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (1R)-2-[(3-hydroxy-4-methoxyphenyl)methyl]-1-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol with MolForge

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Related Compounds

(1S)-2-[(3,4-dichlorophenyl)methyl]-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-6,7-diol
CID 102064325
[6-[[1-(azidomethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methyl]naphthalen-2-yl]methanol
CID 139640072
(1S)-1-[[4-[5-[[(1R)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
CID 10031670
1-[[4-[2-hydroxy-5-(hydroxymethyl)phenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
CID 163034539
ethyl (1R)-7-hydroxy-1-[(4-hydroxyphenyl)methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 7055271
(1R)-2-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-6-ol
CID 163032541
(1S)-6-methoxy-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-ol
CID 6992052
2-methoxy-5-[(2-methylazepan-1-yl)methyl]phenol
CID 82980366
4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-hydroxyphenyl]phenol
CID 102154059
5-[(2,4-dimethylpyrrolidin-1-yl)methyl]-2-methoxyphenol
CID 113346191
3-[(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-ol
CID 126591841
N-benzyl-2-[1-[(3,4-dimethoxyphenyl)methyl]-7-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
CID 22742754

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(3-hydroxy-4-methoxyphenyl)methyl]-1-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol?
The IUPAC name of (1R)-2-[(3-hydroxy-4-methoxyphenyl)methyl]-1-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol (CID 100956100) is (1R)-2-[(3-hydroxy-4-methoxyphenyl)methyl]-1-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol.
What is the SMILES notation for (1R)-2-[(3-hydroxy-4-methoxyphenyl)methyl]-1-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol?
The canonical SMILES for (1R)-2-[(3-hydroxy-4-methoxyphenyl)methyl]-1-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol is COc1ccc(CN2CCc3cc(OC)c(O)cc3[C@@H]2CO)cc1O.
What is the InChIKey of (1R)-2-[(3-hydroxy-4-methoxyphenyl)methyl]-1-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol?
The InChIKey is KASWWLAVGKFTQB-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-24-18-4-3-12(7-16(18)22)10-20-6-5-13-8-19(25-2)17(23)9-14(13)15(20)11-21/h3-4,7-9,15,21-23H,5-6,10-11H2,1-2H3/t15-/m0/s1.
What are the key properties of (1R)-2-[(3-hydroxy-4-methoxyphenyl)methyl]-1-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol?
(1R)-2-[(3-hydroxy-4-methoxyphenyl)methyl]-1-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol has a molecular weight of 345.40 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(3-hydroxy-4-methoxyphenyl)methyl]-1-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol is sourced from PubChem (CID 100956100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).