[(3R)-1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol

C20H23NO5 — CID 58625556

IUPAC[(3R)-1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol
SMILESCOc1cc(OC)cc(C2=N[C@@H](CO)Cc3cc(OC)c(OC)cc32)c1
InChIInChI=1S/C20H23NO5/c1-23-15-6-13(7-16(9-15)24-2)20-17-10-19(26-4)18(25-3)8-12(17)5-14(11-22)21-20/h6-10,14,22H,5,11H2,1-4H3/t14-/m1/s1
InChIKeyGHBUMWHHZFGRDI-CQSZACIVSA-N
MW357.41 g/mol
LogP2.48
Rot. Bonds6

About [(3R)-1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol

[(3R)-1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol (PubChem CID 58625556) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is [(3R)-1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol
PubChem CID58625556
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name[(3R)-1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol
SMILESCOc1cc(OC)cc(C2=N[C@@H](CO)Cc3cc(OC)c(OC)cc32)c1
InChIInChI=1S/C20H23NO5/c1-23-15-6-13(7-16(9-15)24-2)20-17-10-19(26-4)18(25-3)8-12(17)5-14(11-22)21-20/h6-10,14,22H,5,11H2,1-4H3/t14-/m1/s1
InChIKeyGHBUMWHHZFGRDI-CQSZACIVSA-N
XLogP2.48
TPSA69.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methyl 3,5-dimethoxybenzoate
CID 70051227
3-(hydroxymethyl)-6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 71367948
2-[4-[(3S)-3-(hydroxymethyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl]-2-pyridinyl]-5-(pyridin-3-ylmethoxy)isoquinolin-1-one;hydrochloride
CID 45260747
3-chloro-1-ethyl-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 141159407
6,7-dimethoxy-1-(3-methoxyphenyl)-3,4-dihydroisoquinoline
CID 626628
(4R)-1-(3,5-dimethyl-4-nitrophenyl)-7,8-dimethoxy-4-methyl-4,5-dihydro-3H-2,3-benzodiazepine
CID 140531115
2-(6,7-dimethoxy-3-methyl-3,4-dihydroisoquinolin-1-yl)acetonitrile
CID 90727188
1-[(3,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 134120705
1-(2-ethoxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 139635568
(4R)-1-(4-bromophenyl)-7,8-dimethoxy-3,4-dimethyl-4,5-dihydro-2,3-benzodiazepine
CID 118310736
3-butyl-1-(4-fluorophenyl)-6-methoxy-3,4-dihydroisoquinoline
CID 155125249
(4R)-7,8-dimethoxy-4-methyl-1-(4-nitrophenyl)-4,5-dihydro-2,3-benzodiazepine-3-carboxylic acid
CID 69275219

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol?
The IUPAC name of [(3R)-1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol (CID 58625556) is [(3R)-1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol?
The canonical SMILES for [(3R)-1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol is COc1cc(OC)cc(C2=N[C@@H](CO)Cc3cc(OC)c(OC)cc32)c1.
What is the InChIKey of [(3R)-1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol?
The InChIKey is GHBUMWHHZFGRDI-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23NO5/c1-23-15-6-13(7-16(9-15)24-2)20-17-10-19(26-4)18(25-3)8-12(17)5-14(11-22)21-20/h6-10,14,22H,5,11H2,1-4H3/t14-/m1/s1.
What are the key properties of [(3R)-1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol?
[(3R)-1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol has a molecular weight of 357.41 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol is sourced from PubChem (CID 58625556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).