2-diazo-1-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethanone

C12H12N2O2 — CID 137170172

IUPAC2-diazo-1-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethanone
SMILES[N-]=[N+]=CC(=O)C1CCc2cc(O)ccc2C1
InChIInChI=1S/C12H12N2O2/c13-14-7-12(16)10-2-1-9-6-11(15)4-3-8(9)5-10/h3-4,6-7,10,15H,1-2,5H2
InChIKeyAJAZPOUGWFDSBC-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.37
Rot. Bonds2

About 2-diazo-1-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethanone

2-diazo-1-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethanone (PubChem CID 137170172) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-diazo-1-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name2-diazo-1-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethanone
PubChem CID137170172
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-diazo-1-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethanone
SMILES[N-]=[N+]=CC(=O)C1CCc2cc(O)ccc2C1
InChIInChI=1S/C12H12N2O2/c13-14-7-12(16)10-2-1-9-6-11(15)4-3-8(9)5-10/h3-4,6-7,10,15H,1-2,5H2
InChIKeyAJAZPOUGWFDSBC-UHFFFAOYSA-N
XLogP1.37
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

6-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboximidamide
CID 13439066
3-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,1-dimethylurea
CID 127034559
6-hydroxy-1,2,3,4-tetrahydronaphthalene-2-sulfonamide
CID 131503825
6-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105437540
6-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 71463972
(4-decoxyphenyl) 6-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 19069952
6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 71383857
2-amino-2-[(2R)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]propane-1,3-diol
CID 129386578
6-anilino-5,6,7,8-tetrahydronaphthalen-2-ol
CID 23635616
methyl 6-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 54194488
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126922
methyl (2R)-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 22882753

Frequently Asked Questions

What is the IUPAC name of 2-diazo-1-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethanone?
The IUPAC name of 2-diazo-1-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethanone (CID 137170172) is 2-diazo-1-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethanone.
What is the SMILES notation for 2-diazo-1-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethanone?
The canonical SMILES for 2-diazo-1-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethanone is [N-]=[N+]=CC(=O)C1CCc2cc(O)ccc2C1.
What is the InChIKey of 2-diazo-1-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethanone?
The InChIKey is AJAZPOUGWFDSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c13-14-7-12(16)10-2-1-9-6-11(15)4-3-8(9)5-10/h3-4,6-7,10,15H,1-2,5H2.
What are the key properties of 2-diazo-1-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethanone?
2-diazo-1-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethanone has a molecular weight of 216.24 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-1-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethanone is sourced from PubChem (CID 137170172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).