tert-butyl (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl) carbonate

C14H19NO4 — CID 67634829

IUPACtert-butyl (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl) carbonate
SMILESCC(C)(C)OC(=O)ON1CCc2ccc(O)cc2C1
InChIInChI=1S/C14H19NO4/c1-14(2,3)18-13(17)19-15-7-6-10-4-5-12(16)8-11(10)9-15/h4-5,8,16H,6-7,9H2,1-3H3
InChIKeyOQDAWTARBCIEIB-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.62
Rot. Bonds1

About tert-butyl (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl) carbonate

tert-butyl (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl) carbonate (PubChem CID 67634829) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is tert-butyl (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl) carbonate.

Molecular Properties

Compound Nametert-butyl (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl) carbonate
PubChem CID67634829
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nametert-butyl (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl) carbonate
SMILESCC(C)(C)OC(=O)ON1CCc2ccc(O)cc2C1
InChIInChI=1S/C14H19NO4/c1-14(2,3)18-13(17)19-15-7-6-10-4-5-12(16)8-11(10)9-15/h4-5,8,16H,6-7,9H2,1-3H3
InChIKeyOQDAWTARBCIEIB-UHFFFAOYSA-N
XLogP2.62
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (3-oxopyrrolidin-1-yl) carbonate
CID 69288306
tert-butyl 3-(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)propanoate
CID 59595894
tert-butyl 6-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate;1,2,3,4-tetrahydroisoquinolin-6-ol;hydrobromide
CID 161430493
tert-butyl 7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 57366402
6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 58902236
tert-butyl 6-hydroxy-2-methyl-2,3-dihydroindole-1-carboxylate
CID 130067891
1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxyethanone
CID 60968764
tert-butyl 7-(difluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 166172529
4-tert-butyl-N-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)benzamide
CID 86292941
8-hydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylic acid
CID 18536400
2-amino-2-ethyl-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one
CID 79814902
tert-butyl 7-iodo-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 67006732

Frequently Asked Questions

What is the IUPAC name of tert-butyl (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl) carbonate?
The IUPAC name of tert-butyl (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl) carbonate (CID 67634829) is tert-butyl (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl) carbonate.
What is the SMILES notation for tert-butyl (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl) carbonate?
The canonical SMILES for tert-butyl (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl) carbonate is CC(C)(C)OC(=O)ON1CCc2ccc(O)cc2C1.
What is the InChIKey of tert-butyl (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl) carbonate?
The InChIKey is OQDAWTARBCIEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-14(2,3)18-13(17)19-15-7-6-10-4-5-12(16)8-11(10)9-15/h4-5,8,16H,6-7,9H2,1-3H3.
What are the key properties of tert-butyl (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl) carbonate?
tert-butyl (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl) carbonate has a molecular weight of 265.31 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl) carbonate is sourced from PubChem (CID 67634829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).