1-[3-(oxolan-2-yl)propyl]-1,2,3,4-tetrahydroisoquinolin-7-ol

C16H23NO2 — CID 106779789

IUPAC1-[3-(oxolan-2-yl)propyl]-1,2,3,4-tetrahydroisoquinolin-7-ol
SMILESOc1ccc2c(c1)C(CCCC1CCCO1)NCC2
InChIInChI=1S/C16H23NO2/c18-13-7-6-12-8-9-17-16(15(12)11-13)5-1-3-14-4-2-10-19-14/h6-7,11,14,16-18H,1-5,8-10H2
InChIKeySCUVQLJLEOXECG-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.93
Rot. Bonds4

About 1-[3-(oxolan-2-yl)propyl]-1,2,3,4-tetrahydroisoquinolin-7-ol

1-[3-(oxolan-2-yl)propyl]-1,2,3,4-tetrahydroisoquinolin-7-ol (PubChem CID 106779789) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-[3-(oxolan-2-yl)propyl]-1,2,3,4-tetrahydroisoquinolin-7-ol.

Molecular Properties

Compound Name1-[3-(oxolan-2-yl)propyl]-1,2,3,4-tetrahydroisoquinolin-7-ol
PubChem CID106779789
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name1-[3-(oxolan-2-yl)propyl]-1,2,3,4-tetrahydroisoquinolin-7-ol
SMILESOc1ccc2c(c1)C(CCCC1CCCO1)NCC2
InChIInChI=1S/C16H23NO2/c18-13-7-6-12-8-9-17-16(15(12)11-13)5-1-3-14-4-2-10-19-14/h6-7,11,14,16-18H,1-5,8-10H2
InChIKeySCUVQLJLEOXECG-UHFFFAOYSA-N
XLogP2.93
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3-(oxolan-2-yl)propyl]-1,2,3,4-tetrahydroisoquinolin-7-ol with MolForge

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Related Compounds

1-[2-(oxolan-2-yl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682224
4-(4-cyanophenyl)-N-[4-(7-hydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl)butyl]benzamide
CID 140995915
1-(3-cyclobutylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106543809
2-[3-(oxiran-2-yl)propyl]oxolane
CID 115410470
4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-one
CID 65167319
2-[3-(oxan-2-yl)propyl]oxane
CID 71182925
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106543748
1-[(1-ethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106778173
6-(4,4,4-trifluorobutyl)-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline
CID 106780848
2-[3-(oxolan-2-yl)propyl]azepane
CID 65165342
7-ethyl-1-propyl-1,2,3,4-tetrahydroisoquinoline
CID 62373433
7-[1-hydroxy-3-(oxolan-2-yl)propyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 65157947

Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxolan-2-yl)propyl]-1,2,3,4-tetrahydroisoquinolin-7-ol?
The IUPAC name of 1-[3-(oxolan-2-yl)propyl]-1,2,3,4-tetrahydroisoquinolin-7-ol (CID 106779789) is 1-[3-(oxolan-2-yl)propyl]-1,2,3,4-tetrahydroisoquinolin-7-ol.
What is the SMILES notation for 1-[3-(oxolan-2-yl)propyl]-1,2,3,4-tetrahydroisoquinolin-7-ol?
The canonical SMILES for 1-[3-(oxolan-2-yl)propyl]-1,2,3,4-tetrahydroisoquinolin-7-ol is Oc1ccc2c(c1)C(CCCC1CCCO1)NCC2.
What is the InChIKey of 1-[3-(oxolan-2-yl)propyl]-1,2,3,4-tetrahydroisoquinolin-7-ol?
The InChIKey is SCUVQLJLEOXECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c18-13-7-6-12-8-9-17-16(15(12)11-13)5-1-3-14-4-2-10-19-14/h6-7,11,14,16-18H,1-5,8-10H2.
What are the key properties of 1-[3-(oxolan-2-yl)propyl]-1,2,3,4-tetrahydroisoquinolin-7-ol?
1-[3-(oxolan-2-yl)propyl]-1,2,3,4-tetrahydroisoquinolin-7-ol has a molecular weight of 261.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxolan-2-yl)propyl]-1,2,3,4-tetrahydroisoquinolin-7-ol is sourced from PubChem (CID 106779789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).