ethyl (1R,2R)-1-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate

C13H16O3 — CID 10987788

IUPACethyl (1R,2R)-1-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCc2ccccc2[C@@H]1O
InChIInChI=1S/C13H16O3/c1-2-16-13(15)11-8-7-9-5-3-4-6-10(9)12(11)14/h3-6,11-12,14H,2,7-8H2,1H3/t11-,12+/m1/s1
InChIKeyBQOKNTVDUOXHFI-NEPJUHHUSA-N
MW220.27 g/mol
LogP1.85
Rot. Bonds2

About ethyl (1R,2R)-1-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate

ethyl (1R,2R)-1-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate (PubChem CID 10987788) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is ethyl (1R,2R)-1-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl (1R,2R)-1-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
PubChem CID10987788
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Nameethyl (1R,2R)-1-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCc2ccccc2[C@@H]1O
InChIInChI=1S/C13H16O3/c1-2-16-13(15)11-8-7-9-5-3-4-6-10(9)12(11)14/h3-6,11-12,14H,2,7-8H2,1H3/t11-,12+/m1/s1
InChIKeyBQOKNTVDUOXHFI-NEPJUHHUSA-N
XLogP1.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (1R,2R)-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate
CID 102322788
ethyl (1S,2R)-1,6-dihydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 18391522
diethyl 5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1,4-dicarboxylate
CID 14835578
ethyl (5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-carboxylate
CID 124678849
ethyl 2-[(1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanoate
CID 22599555
ethyl (1S,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride
CID 131852452
ethyl 3,4-dihydro-1H-isochromene-1-carboxylate
CID 12511862
ethyl (1R,2R)-7-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 10542989
ethyl 2-sulfamoyl-3,4-dihydro-1H-isoquinoline-1-carboxylate
CID 14787908
ethane;2-ethyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 145337942
2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 12522311
ethyl 2-(2,2-difluoroethyl)-3,4-dihydro-1H-isoquinoline-1-carboxylate
CID 134337092

Frequently Asked Questions

What is the IUPAC name of ethyl (1R,2R)-1-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
The IUPAC name of ethyl (1R,2R)-1-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate (CID 10987788) is ethyl (1R,2R)-1-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate.
What is the SMILES notation for ethyl (1R,2R)-1-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
The canonical SMILES for ethyl (1R,2R)-1-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate is CCOC(=O)[C@@H]1CCc2ccccc2[C@@H]1O.
What is the InChIKey of ethyl (1R,2R)-1-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
The InChIKey is BQOKNTVDUOXHFI-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H16O3/c1-2-16-13(15)11-8-7-9-5-3-4-6-10(9)12(11)14/h3-6,11-12,14H,2,7-8H2,1H3/t11-,12+/m1/s1.
What are the key properties of ethyl (1R,2R)-1-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
ethyl (1R,2R)-1-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate has a molecular weight of 220.27 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R,2R)-1-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate is sourced from PubChem (CID 10987788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).