1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol

C17H17NO3 — CID 106543748

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol
SMILESOc1ccc2c(c1)C(c1ccc3c(c1)OCCO3)NCC2
InChIInChI=1S/C17H17NO3/c19-13-3-1-11-5-6-18-17(14(11)10-13)12-2-4-15-16(9-12)21-8-7-20-15/h1-4,9-10,17-19H,5-8H2
InChIKeyOXANYWJMGGJCGL-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.40
Rot. Bonds1

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol (PubChem CID 106543748) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol
PubChem CID106543748
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol
SMILESOc1ccc2c(c1)C(c1ccc3c(c1)OCCO3)NCC2
InChIInChI=1S/C17H17NO3/c19-13-3-1-11-5-6-18-17(14(11)10-13)12-2-4-15-16(9-12)21-8-7-20-15/h1-4,9-10,17-19H,5-8H2
InChIKeyOXANYWJMGGJCGL-UHFFFAOYSA-N
XLogP2.40
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol with MolForge

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Related Compounds

5-(1,3-benzodioxol-5-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
CID 4643659
1-(4-tert-butylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106543718
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 90485288
1-(3-cyclobutylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106543809
4-(2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinolin-6-yl)-2-methoxyphenol
CID 5028165
(6S)-6-phenyl-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline
CID 42056106
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-isoindole
CID 65046520
1-(4-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106543727
6-(3-methylphenyl)-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline
CID 3615121
(1R)-1-(1,3-benzodioxol-5-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 11196421
2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,24-diol
CID 13273773
(1S)-1-(3-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 27108865

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol (CID 106543748) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol is Oc1ccc2c(c1)C(c1ccc3c(c1)OCCO3)NCC2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol?
The InChIKey is OXANYWJMGGJCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-13-3-1-11-5-6-18-17(14(11)10-13)12-2-4-15-16(9-12)21-8-7-20-15/h1-4,9-10,17-19H,5-8H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol has a molecular weight of 283.33 g/mol, XLogP of 2.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol is sourced from PubChem (CID 106543748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).