[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl] 4-phenyldiazenylbenzoate

C23H20N2O2 — CID 92536781

IUPAC[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl] 4-phenyldiazenylbenzoate
SMILESO=C(O[C@@H]1CCc2ccccc2C1)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C23H20N2O2/c26-23(27-22-15-12-17-6-4-5-7-19(17)16-22)18-10-13-21(14-11-18)25-24-20-8-2-1-3-9-20/h1-11,13-14,22H,12,15-16H2/b25-24+/t22-/m1/s1
InChIKeyCXLUPFYKXALWMT-GJQPQMNHSA-N
MW356.43 g/mol
LogP5.82
Rot. Bonds4

About [(2R)-1,2,3,4-tetrahydronaphthalen-2-yl] 4-phenyldiazenylbenzoate

[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl] 4-phenyldiazenylbenzoate (PubChem CID 92536781) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is [(2R)-1,2,3,4-tetrahydronaphthalen-2-yl] 4-phenyldiazenylbenzoate.

Molecular Properties

Compound Name[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl] 4-phenyldiazenylbenzoate
PubChem CID92536781
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl] 4-phenyldiazenylbenzoate
SMILESO=C(O[C@@H]1CCc2ccccc2C1)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C23H20N2O2/c26-23(27-22-15-12-17-6-4-5-7-19(17)16-22)18-10-13-21(14-11-18)25-24-20-8-2-1-3-9-20/h1-11,13-14,22H,12,15-16H2/b25-24+/t22-/m1/s1
InChIKeyCXLUPFYKXALWMT-GJQPQMNHSA-N
XLogP5.82
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1,2,3,4-tetrahydronaphthalen-2-yl] 4-phenyldiazenylbenzoate?
The IUPAC name of [(2R)-1,2,3,4-tetrahydronaphthalen-2-yl] 4-phenyldiazenylbenzoate (CID 92536781) is [(2R)-1,2,3,4-tetrahydronaphthalen-2-yl] 4-phenyldiazenylbenzoate.
What is the SMILES notation for [(2R)-1,2,3,4-tetrahydronaphthalen-2-yl] 4-phenyldiazenylbenzoate?
The canonical SMILES for [(2R)-1,2,3,4-tetrahydronaphthalen-2-yl] 4-phenyldiazenylbenzoate is O=C(O[C@@H]1CCc2ccccc2C1)c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of [(2R)-1,2,3,4-tetrahydronaphthalen-2-yl] 4-phenyldiazenylbenzoate?
The InChIKey is CXLUPFYKXALWMT-GJQPQMNHSA-N. The full InChI is InChI=1S/C23H20N2O2/c26-23(27-22-15-12-17-6-4-5-7-19(17)16-22)18-10-13-21(14-11-18)25-24-20-8-2-1-3-9-20/h1-11,13-14,22H,12,15-16H2/b25-24+/t22-/m1/s1.
What are the key properties of [(2R)-1,2,3,4-tetrahydronaphthalen-2-yl] 4-phenyldiazenylbenzoate?
[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl] 4-phenyldiazenylbenzoate has a molecular weight of 356.43 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1,2,3,4-tetrahydronaphthalen-2-yl] 4-phenyldiazenylbenzoate is sourced from PubChem (CID 92536781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).