2-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-3,4-dihydro-1H-isoquinolin-7-ol

C15H23NO3 — CID 97235190

IUPAC2-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-3,4-dihydro-1H-isoquinolin-7-ol
SMILESCC(C)OC[C@@H](O)CN1CCc2ccc(O)cc2C1
InChIInChI=1S/C15H23NO3/c1-11(2)19-10-15(18)9-16-6-5-12-3-4-14(17)7-13(12)8-16/h3-4,7,11,15,17-18H,5-6,8-10H2,1-2H3/t15-/m0/s1
InChIKeyHULZCWKTKITVDH-HNNXBMFYSA-N
MW265.35 g/mol
LogP1.54
Rot. Bonds5

About 2-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-3,4-dihydro-1H-isoquinolin-7-ol

2-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-3,4-dihydro-1H-isoquinolin-7-ol (PubChem CID 97235190) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-3,4-dihydro-1H-isoquinolin-7-ol.

Molecular Properties

Compound Name2-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-3,4-dihydro-1H-isoquinolin-7-ol
PubChem CID97235190
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-3,4-dihydro-1H-isoquinolin-7-ol
SMILESCC(C)OC[C@@H](O)CN1CCc2ccc(O)cc2C1
InChIInChI=1S/C15H23NO3/c1-11(2)19-10-15(18)9-16-6-5-12-3-4-14(17)7-13(12)8-16/h3-4,7,11,15,17-18H,5-6,8-10H2,1-2H3/t15-/m0/s1
InChIKeyHULZCWKTKITVDH-HNNXBMFYSA-N
XLogP1.54
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-propan-2-yloxypropan-2-ol
CID 110909734
2-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3,4-dihydro-1H-isoquinolin-6-ol
CID 166320728
4-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]methyl]phenol
CID 129062379
1-(1-methoxypropan-2-yloxy)-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-2-ol
CID 106992102
1-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-ol
CID 111106106
(2R)-1-(4-benzylpiperazin-1-yl)-3-propan-2-yloxypropan-2-ol
CID 889732
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 60635306
3-[7-(dimethylamino)-3,4-dihydro-1H-isoquinolin-2-yl]propane-1,2-diol
CID 110456958
(2R)-1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 878733
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 762913
1-[bis(4-fluorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 15945201
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2,6-dimethylphenoxy)propan-2-ol
CID 829797

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-3,4-dihydro-1H-isoquinolin-7-ol?
The IUPAC name of 2-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-3,4-dihydro-1H-isoquinolin-7-ol (CID 97235190) is 2-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-3,4-dihydro-1H-isoquinolin-7-ol.
What is the SMILES notation for 2-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-3,4-dihydro-1H-isoquinolin-7-ol?
The canonical SMILES for 2-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-3,4-dihydro-1H-isoquinolin-7-ol is CC(C)OC[C@@H](O)CN1CCc2ccc(O)cc2C1.
What is the InChIKey of 2-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-3,4-dihydro-1H-isoquinolin-7-ol?
The InChIKey is HULZCWKTKITVDH-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(2)19-10-15(18)9-16-6-5-12-3-4-14(17)7-13(12)8-16/h3-4,7,11,15,17-18H,5-6,8-10H2,1-2H3/t15-/m0/s1.
What are the key properties of 2-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-3,4-dihydro-1H-isoquinolin-7-ol?
2-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-3,4-dihydro-1H-isoquinolin-7-ol has a molecular weight of 265.35 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-3,4-dihydro-1H-isoquinolin-7-ol is sourced from PubChem (CID 97235190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).