methyl (1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate

C12H14O3 — CID 102001294

IUPACmethyl (1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate
SMILESCOC(=O)[C@H]1c2ccccc2CC[C@@H]1O
InChIInChI=1S/C12H14O3/c1-15-12(14)11-9-5-3-2-4-8(9)6-7-10(11)13/h2-5,10-11,13H,6-7H2,1H3/t10-,11-/m0/s1
InChIKeyZZHKRFIYZHDBOE-QWRGUYRKSA-N
MW206.24 g/mol
LogP1.25
Rot. Bonds1

About methyl (1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate

methyl (1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate (PubChem CID 102001294) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is methyl (1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate
PubChem CID102001294
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Namemethyl (1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate
SMILESCOC(=O)[C@H]1c2ccccc2CC[C@@H]1O
InChIInChI=1S/C12H14O3/c1-15-12(14)11-9-5-3-2-4-8(9)6-7-10(11)13/h2-5,10-11,13H,6-7H2,1H3/t10-,11-/m0/s1
InChIKeyZZHKRFIYZHDBOE-QWRGUYRKSA-N
XLogP1.25
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl (9S,10S)-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dicarboxylate
CID 134853900
methyl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate
CID 83985069
2,3-dihydro-1H-indene-1-carboxylic acid;methanol;methoxymethane;methyl 2,3-dihydro-1H-indene-1-carboxylate
CID 158912693
(1S,2R)-1-(1,1-difluoroprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 101380671
(1R,2S)-1-(1,1-difluoroprop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 11579465
methyl (1R,2R)-2-phenyl-2,3-dihydro-1H-indene-1-carboxylate
CID 101211176
dimethyl 1a,2,3,7b-tetrahydrocyclopropa[a]naphthalene-1,1-dicarboxylate
CID 135044942
methyl (1S)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 86324756
methyl (7S)-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
CID 124511173
N-[(1R,2S)-2-(methoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 134952452
methyl 2-oxotricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaene-9-carboxylate
CID 102398113
methyl (E)-3-(2,3-dihydro-1H-inden-1-ylamino)prop-2-enoate
CID 103239478

Frequently Asked Questions

What is the IUPAC name of methyl (1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate?
The IUPAC name of methyl (1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate (CID 102001294) is methyl (1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate.
What is the SMILES notation for methyl (1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate?
The canonical SMILES for methyl (1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate is COC(=O)[C@H]1c2ccccc2CC[C@@H]1O.
What is the InChIKey of methyl (1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate?
The InChIKey is ZZHKRFIYZHDBOE-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H14O3/c1-15-12(14)11-9-5-3-2-4-8(9)6-7-10(11)13/h2-5,10-11,13H,6-7H2,1H3/t10-,11-/m0/s1.
What are the key properties of methyl (1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate?
methyl (1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate has a molecular weight of 206.24 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate is sourced from PubChem (CID 102001294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).