ethyl 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate

C12H15NO3 — CID 10242614

IUPACethyl 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
SMILESCCOC(=O)C1NCCc2cc(O)ccc21
InChIInChI=1S/C12H15NO3/c1-2-16-12(15)11-10-4-3-9(14)7-8(10)5-6-13-11/h3-4,7,11,13-14H,2,5-6H2,1H3
InChIKeyUYKVSJYMKQPONE-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.14
Rot. Bonds2

About ethyl 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate

ethyl 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate (PubChem CID 10242614) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is ethyl 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate.

Molecular Properties

Compound Nameethyl 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
PubChem CID10242614
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Nameethyl 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
SMILESCCOC(=O)C1NCCc2cc(O)ccc21
InChIInChI=1S/C12H15NO3/c1-2-16-12(15)11-10-4-3-9(14)7-8(10)5-6-13-11/h3-4,7,11,13-14H,2,5-6H2,1H3
InChIKeyUYKVSJYMKQPONE-UHFFFAOYSA-N
XLogP1.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (1R)-6-bromo-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 86335904
ethyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 13406909
ethyl 7-(hydroxymethyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 121405997
ethyl (1S,2R)-1,6-dihydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 18391522
ethyl 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-5-carboxylate;hydrochloride
CID 118622724
ethyl 4,5,6,7-tetrahydrofuro[2,3-c]pyridine-7-carboxylate
CID 70156183
ethyl 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-7-carboxylate
CID 157046318
ethyl 5-(methylamino)-1,2,3,4-tetrahydrobenzo[g]isoquinoline-1-carboxylate
CID 70624082
ethyl 3-methylidenepyrrolidine-2-carboxylate
CID 23178513
ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-7-carboxylate;hydrochloride
CID 131664469
(3-amino-2,2-dimethylpropyl) 1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 54185238
(1R)-1-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 96972794

Frequently Asked Questions

What is the IUPAC name of ethyl 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate?
The IUPAC name of ethyl 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate (CID 10242614) is ethyl 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate.
What is the SMILES notation for ethyl 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate?
The canonical SMILES for ethyl 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate is CCOC(=O)C1NCCc2cc(O)ccc21.
What is the InChIKey of ethyl 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate?
The InChIKey is UYKVSJYMKQPONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-2-16-12(15)11-10-4-3-9(14)7-8(10)5-6-13-11/h3-4,7,11,13-14H,2,5-6H2,1H3.
What are the key properties of ethyl 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate?
ethyl 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate has a molecular weight of 221.26 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate is sourced from PubChem (CID 10242614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).