5-deuterio-7-iodo-1,2,3,4-tetrahydronaphthalene

C10H11I — CID 11184504

IUPAC5-deuterio-7-iodo-1,2,3,4-tetrahydronaphthalene
SMILES[2H]c1cc(I)cc2c1CCCC2
InChIInChI=1S/C10H11I/c11-10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2/i5D
InChIKeyUPGOXMUQOUACMG-UICOGKGYSA-N
MW259.11 g/mol
LogP3.17
Rot. Bonds

About 5-deuterio-7-iodo-1,2,3,4-tetrahydronaphthalene

5-deuterio-7-iodo-1,2,3,4-tetrahydronaphthalene (PubChem CID 11184504) has the molecular formula C10H11I and a molecular weight of 259.11 g/mol. Its IUPAC name is 5-deuterio-7-iodo-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name5-deuterio-7-iodo-1,2,3,4-tetrahydronaphthalene
PubChem CID11184504
Molecular FormulaC10H11I
Molecular Weight259.11 g/mol
Exact Mass259.00
IUPAC Name5-deuterio-7-iodo-1,2,3,4-tetrahydronaphthalene
SMILES[2H]c1cc(I)cc2c1CCCC2
InChIInChI=1S/C10H11I/c11-10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2/i5D
InChIKeyUPGOXMUQOUACMG-UICOGKGYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.11
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

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CID 153067657
3-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 58219551
6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 19914431
methane;1,2,3,4-tetrahydroanthracene
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2,3-dihydro-1H-inden-5-yl-(3-iodophenyl)methanol
CID 61088523
3-(2,3,4,5-tetradeuteriophenyl)-5,6,7,8-tetrahydroisoquinoline
CID 140711681
2,3,4,5,7,8,9,10-octahydro-1H-benzo[h][3]benzazepine
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1,2,3,4-tetrahydronaphthalene
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CID 19785606
5,6,8-trideuterio-7-methoxy-1,2,3,4-tetrahydronaphthalene
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Frequently Asked Questions

What is the IUPAC name of 5-deuterio-7-iodo-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 5-deuterio-7-iodo-1,2,3,4-tetrahydronaphthalene (CID 11184504) is 5-deuterio-7-iodo-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 5-deuterio-7-iodo-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 5-deuterio-7-iodo-1,2,3,4-tetrahydronaphthalene is [2H]c1cc(I)cc2c1CCCC2.
What is the InChIKey of 5-deuterio-7-iodo-1,2,3,4-tetrahydronaphthalene?
The InChIKey is UPGOXMUQOUACMG-UICOGKGYSA-N. The full InChI is InChI=1S/C10H11I/c11-10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2/i5D.
What are the key properties of 5-deuterio-7-iodo-1,2,3,4-tetrahydronaphthalene?
5-deuterio-7-iodo-1,2,3,4-tetrahydronaphthalene has a molecular weight of 259.11 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-deuterio-7-iodo-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 11184504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).