8-[(2-hydroxynaphthalen-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol

C20H19NO2 — CID 163288571

IUPAC8-[(2-hydroxynaphthalen-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol
SMILESOc1ccc2c(c1Cc1c(O)ccc3ccccc13)CNCC2
InChIInChI=1S/C20H19NO2/c22-19-7-5-13-3-1-2-4-15(13)16(19)11-17-18-12-21-10-9-14(18)6-8-20(17)23/h1-8,21-23H,9-12H2
InChIKeyXYHGJNOBLOMPGV-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.49
Rot. Bonds2

About 8-[(2-hydroxynaphthalen-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol

8-[(2-hydroxynaphthalen-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol (PubChem CID 163288571) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 8-[(2-hydroxynaphthalen-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol.

Molecular Properties

Compound Name8-[(2-hydroxynaphthalen-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol
PubChem CID163288571
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name8-[(2-hydroxynaphthalen-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol
SMILESOc1ccc2c(c1Cc1c(O)ccc3ccccc13)CNCC2
InChIInChI=1S/C20H19NO2/c22-19-7-5-13-3-1-2-4-15(13)16(19)11-17-18-12-21-10-9-14(18)6-8-20(17)23/h1-8,21-23H,9-12H2
InChIKeyXYHGJNOBLOMPGV-UHFFFAOYSA-N
XLogP3.49
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

benzoic acid;1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol
CID 69303961
1-[[2-(azetidin-3-ylmethoxy)naphthalen-1-yl]methyl]naphthalen-2-ol
CID 166589848
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)naphthalen-2-ol;hydrochloride
CID 66855717
1-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-2-ol
CID 15213459
8-[(2-hydroxynaphthalen-1-yl)methyl]quinolin-7-ol
CID 166589880
1-(2-hydroxyethyl)naphthalen-2-ol
CID 19602212
1-(piperidin-3-ylmethyl)naphthalen-2-ol
CID 84801092
1-[[methyl(pyrrolidin-3-yl)amino]methyl]naphthalen-2-ol
CID 63296957
1-[[2-[(1-methylpiperidin-4-yl)methoxy]naphthalen-1-yl]methyl]naphthalen-2-ol
CID 166589863
piperazine;1,2,3,4-tetrahydrochrysene;hydrobromide
CID 174879452
2-bromo-4-(1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridin-5-yl)phenol
CID 136781696
1-[2-(4-methylpiperazin-1-yl)ethyl]naphthalen-2-ol
CID 175567947

Frequently Asked Questions

What is the IUPAC name of 8-[(2-hydroxynaphthalen-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol?
The IUPAC name of 8-[(2-hydroxynaphthalen-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol (CID 163288571) is 8-[(2-hydroxynaphthalen-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol.
What is the SMILES notation for 8-[(2-hydroxynaphthalen-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol?
The canonical SMILES for 8-[(2-hydroxynaphthalen-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol is Oc1ccc2c(c1Cc1c(O)ccc3ccccc13)CNCC2.
What is the InChIKey of 8-[(2-hydroxynaphthalen-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol?
The InChIKey is XYHGJNOBLOMPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c22-19-7-5-13-3-1-2-4-15(13)16(19)11-17-18-12-21-10-9-14(18)6-8-20(17)23/h1-8,21-23H,9-12H2.
What are the key properties of 8-[(2-hydroxynaphthalen-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol?
8-[(2-hydroxynaphthalen-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol has a molecular weight of 305.38 g/mol, XLogP of 3.49, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-hydroxynaphthalen-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol is sourced from PubChem (CID 163288571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).