(9R)-5-methoxy-4-methyl-9-(phenylmethoxymethyl)-6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinolin-6-ol

C20H23NO5 — CID 11348861

IUPAC(9R)-5-methoxy-4-methyl-9-(phenylmethoxymethyl)-6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinolin-6-ol
SMILESCOc1c(C)c2c(c3c1C(O)CN[C@H]3COCc1ccccc1)OCO2
InChIInChI=1S/C20H23NO5/c1-12-18(23-2)17-15(22)8-21-14(16(17)20-19(12)25-11-26-20)10-24-9-13-6-4-3-5-7-13/h3-7,14-15,21-22H,8-11H2,1-2H3/t14-,15?/m0/s1
InChIKeyUYNZRPBDWXRKOK-MLCCFXAWSA-N
MW357.41 g/mol
LogP2.63
Rot. Bonds5

About (9R)-5-methoxy-4-methyl-9-(phenylmethoxymethyl)-6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinolin-6-ol

(9R)-5-methoxy-4-methyl-9-(phenylmethoxymethyl)-6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinolin-6-ol (PubChem CID 11348861) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is (9R)-5-methoxy-4-methyl-9-(phenylmethoxymethyl)-6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinolin-6-ol.

Molecular Properties

Compound Name(9R)-5-methoxy-4-methyl-9-(phenylmethoxymethyl)-6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinolin-6-ol
PubChem CID11348861
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name(9R)-5-methoxy-4-methyl-9-(phenylmethoxymethyl)-6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinolin-6-ol
SMILESCOc1c(C)c2c(c3c1C(O)CN[C@H]3COCc1ccccc1)OCO2
InChIInChI=1S/C20H23NO5/c1-12-18(23-2)17-15(22)8-21-14(16(17)20-19(12)25-11-26-20)10-24-9-13-6-4-3-5-7-13/h3-7,14-15,21-22H,8-11H2,1-2H3/t14-,15?/m0/s1
InChIKeyUYNZRPBDWXRKOK-MLCCFXAWSA-N
XLogP2.63
TPSA69.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (9R)-5-methoxy-4-methyl-9-(phenylmethoxymethyl)-6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinolin-6-ol with MolForge

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Related Compounds

(9R)-4-methyl-9-(phenylmethoxymethyl)-5-prop-2-enoxy-6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinolin-6-ol
CID 11653852
ethane;(1R)-4-ethyl-7,8-dimethoxy-6-methyl-1-(phenylmethoxymethyl)-5-prop-2-enoxy-1,2,3,4-tetrahydroisoquinoline
CID 143288080
20-methoxy-6,19-dimethyl-5-phenylmethoxy-13-(phenylmethoxymethyl)-8,10-dioxa-14,23-diazahexacyclo[14.6.2.02,14.04,12.07,11.017,22]tetracosa-4,6,11,17(22),18,20-hexaen-21-ol
CID 155217553
7-[(1R)-1-azido-2-phenylmethoxyethyl]-5-methoxy-4-methyl-1,3-benzodioxole;6-bromo-2,4-dimethoxy-3-methylphenol;7-bromo-5-methoxy-4-methyl-1,3-benzodioxole;2,2-diethoxy-N-[(1S)-1-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)ethyl]ethanamine;2,4-dimethoxy-3-methylbenzaldehyde;(1S)-1-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)ethane-1,2-diol;5-methoxy-4-methyl-7-[(2S)-oxiran-2-yl]-1,3-benzodioxole;(9R)-5-methoxy-4-methyl-9-(phenylmethoxymethyl)-6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinolin-6-ol;phenylmethanol
CID 159696613
[(3S)-5,7-dimethoxy-6-methyl-8-phenylmethoxy-1-(phenylmethoxymethyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
CID 134939029
(1S,2R,13R)-5,19,21,22-tetramethoxy-6,20,24-trimethyl-13-(phenylmethoxymethyl)-8,10-dioxa-14,24-diazahexacyclo[14.7.1.02,14.04,12.07,11.018,23]tetracosa-4,6,11,18(23),19,21-hexaene-3,15-dione
CID 91166509
(2R)-2-(phenylmethoxymethyl)aziridine
CID 101263543
(2R,4R,5R)-5-ethyl-2-(phenylmethoxymethyl)oxan-4-ol
CID 24764148
4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277
(2S,4S)-4-(fluoromethyl)-2-(phenylmethoxymethyl)pyrrolidine
CID 170298793
(2R,3R,5S)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol
CID 10977493
4-methoxy-2-(phenylmethoxymethyl)pyrrolidine
CID 22001421

Frequently Asked Questions

What is the IUPAC name of (9R)-5-methoxy-4-methyl-9-(phenylmethoxymethyl)-6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinolin-6-ol?
The IUPAC name of (9R)-5-methoxy-4-methyl-9-(phenylmethoxymethyl)-6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinolin-6-ol (CID 11348861) is (9R)-5-methoxy-4-methyl-9-(phenylmethoxymethyl)-6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinolin-6-ol.
What is the SMILES notation for (9R)-5-methoxy-4-methyl-9-(phenylmethoxymethyl)-6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinolin-6-ol?
The canonical SMILES for (9R)-5-methoxy-4-methyl-9-(phenylmethoxymethyl)-6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinolin-6-ol is COc1c(C)c2c(c3c1C(O)CN[C@H]3COCc1ccccc1)OCO2.
What is the InChIKey of (9R)-5-methoxy-4-methyl-9-(phenylmethoxymethyl)-6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinolin-6-ol?
The InChIKey is UYNZRPBDWXRKOK-MLCCFXAWSA-N. The full InChI is InChI=1S/C20H23NO5/c1-12-18(23-2)17-15(22)8-21-14(16(17)20-19(12)25-11-26-20)10-24-9-13-6-4-3-5-7-13/h3-7,14-15,21-22H,8-11H2,1-2H3/t14-,15?/m0/s1.
What are the key properties of (9R)-5-methoxy-4-methyl-9-(phenylmethoxymethyl)-6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinolin-6-ol?
(9R)-5-methoxy-4-methyl-9-(phenylmethoxymethyl)-6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinolin-6-ol has a molecular weight of 357.41 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-5-methoxy-4-methyl-9-(phenylmethoxymethyl)-6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinolin-6-ol is sourced from PubChem (CID 11348861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).