1-[(3,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-8-ol

C20H23NO5 — CID 135817515

IUPAC1-[(3,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-8-ol
SMILESCOc1cc(CC2=NCCc3cc(OC)c(OC)c(O)c32)cc(OC)c1
InChIInChI=1S/C20H23NO5/c1-23-14-7-12(8-15(11-14)24-2)9-16-18-13(5-6-21-16)10-17(25-3)20(26-4)19(18)22/h7-8,10-11,22H,5-6,9H2,1-4H3
InChIKeyJBUOACJHFASHIF-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.01
Rot. Bonds6

About 1-[(3,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-8-ol

1-[(3,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-8-ol (PubChem CID 135817515) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-[(3,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-8-ol.

Molecular Properties

Compound Name1-[(3,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-8-ol
PubChem CID135817515
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name1-[(3,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-8-ol
SMILESCOc1cc(CC2=NCCc3cc(OC)c(OC)c(O)c32)cc(OC)c1
InChIInChI=1S/C20H23NO5/c1-23-14-7-12(8-15(11-14)24-2)9-16-18-13(5-6-21-16)10-17(25-3)20(26-4)19(18)22/h7-8,10-11,22H,5-6,9H2,1-4H3
InChIKeyJBUOACJHFASHIF-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 134120705
1-[(3,4-dimethoxyphenyl)methyl]-6,7,8-trimethoxy-3,4-dihydroisoquinoline
CID 11995365
1-[(3-amino-4-methoxyphenyl)methyl]-7-methoxy-3,4-dihydroisoquinolin-8-ol
CID 146161521
1-(3,4-dimethoxyphenyl)-6,7,8-trimethoxy-3,4-dihydroisoquinoline
CID 44625349
[4-[(7-bromooxy-6-methoxy-3,4-dihydroisoquinolin-1-yl)methyl]-2-methoxyphenyl] hypobromite
CID 53297789
5-[2-(3,5-dimethoxyphenyl)ethyl]-2,3-dimethoxyphenol
CID 171933718
1-[(3,5-dimethoxyphenyl)methyl]-8-hydroxy-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
CID 18957041
2,4,7-trimethoxy-9,10-dihydrophenanthren-3-ol
CID 24762424
1-[(3,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 2874283
4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,13,15-heptaene
CID 100937143
(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanamine
CID 16637178
14-methoxybicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-16-ol
CID 11196307

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-8-ol?
The IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-8-ol (CID 135817515) is 1-[(3,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-8-ol.
What is the SMILES notation for 1-[(3,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-8-ol?
The canonical SMILES for 1-[(3,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-8-ol is COc1cc(CC2=NCCc3cc(OC)c(OC)c(O)c32)cc(OC)c1.
What is the InChIKey of 1-[(3,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-8-ol?
The InChIKey is JBUOACJHFASHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-23-14-7-12(8-15(11-14)24-2)9-16-18-13(5-6-21-16)10-17(25-3)20(26-4)19(18)22/h7-8,10-11,22H,5-6,9H2,1-4H3.
What are the key properties of 1-[(3,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-8-ol?
1-[(3,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-8-ol has a molecular weight of 357.41 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-8-ol is sourced from PubChem (CID 135817515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).