2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol

C17H19NO4 — CID 69471549

IUPAC2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
SMILESCOc1ccc(N2CCc3cc(O)c(OC)cc3C2)cc1O
InChIInChI=1S/C17H19NO4/c1-21-16-4-3-13(9-15(16)20)18-6-5-11-7-14(19)17(22-2)8-12(11)10-18/h3-4,7-9,19-20H,5-6,10H2,1-2H3
InChIKeyISEHSHMBUDBWKI-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.68
Rot. Bonds3

About 2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol

2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol (PubChem CID 69471549) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol.

Molecular Properties

Compound Name2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
PubChem CID69471549
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
SMILESCOc1ccc(N2CCc3cc(O)c(OC)cc3C2)cc1O
InChIInChI=1S/C17H19NO4/c1-21-16-4-3-13(9-15(16)20)18-6-5-11-7-14(19)17(22-2)8-12(11)10-18/h3-4,7-9,19-20H,5-6,10H2,1-2H3
InChIKeyISEHSHMBUDBWKI-UHFFFAOYSA-N
XLogP2.68
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-6,7-dimethoxyquinolin-2-yl)-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
CID 14625302
2-(3,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 165412726
2-benzyl-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol
CID 24953254
2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
CID 71453580
7-methoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 25073098
7-methoxy-2-(3-sulfanylpropyl)-3,4-dihydro-1H-isoquinolin-6-ol
CID 175409105
2-[(3,5-difluorophenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
CID 91227364
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)phenyl]cyclobutanecarboxamide
CID 112984849
[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208109
[5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181844
[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204426
2-[2-(4-fluorophenyl)ethyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
CID 71453579

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol?
The IUPAC name of 2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol (CID 69471549) is 2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol.
What is the SMILES notation for 2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol?
The canonical SMILES for 2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol is COc1ccc(N2CCc3cc(O)c(OC)cc3C2)cc1O.
What is the InChIKey of 2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol?
The InChIKey is ISEHSHMBUDBWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-21-16-4-3-13(9-15(16)20)18-6-5-11-7-14(19)17(22-2)8-12(11)10-18/h3-4,7-9,19-20H,5-6,10H2,1-2H3.
What are the key properties of 2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol?
2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol has a molecular weight of 301.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol is sourced from PubChem (CID 69471549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).