[acetyloxy-(1-naphthalen-1-ylnaphthalen-2-yl)-lambda3-iodanyl] acetate

C24H19IO4 — CID 14686542

IUPAC[acetyloxy-(1-naphthalen-1-ylnaphthalen-2-yl)-lambda3-iodanyl] acetate
SMILESCC(=O)OI(OC(C)=O)c1ccc2ccccc2c1-c1cccc2ccccc12
InChIInChI=1S/C24H19IO4/c1-16(26)28-25(29-17(2)27)23-15-14-19-9-4-6-12-21(19)24(23)22-13-7-10-18-8-3-5-11-20(18)22/h3-15H,1-2H3
InChIKeyHXCZDPOLPMNYHC-UHFFFAOYSA-N
MW498.32 g/mol
LogP6.29
Rot. Bonds4

About [acetyloxy-(1-naphthalen-1-ylnaphthalen-2-yl)-lambda3-iodanyl] acetate

[acetyloxy-(1-naphthalen-1-ylnaphthalen-2-yl)-lambda3-iodanyl] acetate (PubChem CID 14686542) has the molecular formula C24H19IO4 and a molecular weight of 498.32 g/mol. Its IUPAC name is [acetyloxy-(1-naphthalen-1-ylnaphthalen-2-yl)-lambda3-iodanyl] acetate.

Molecular Properties

Compound Name[acetyloxy-(1-naphthalen-1-ylnaphthalen-2-yl)-lambda3-iodanyl] acetate
PubChem CID14686542
Molecular FormulaC24H19IO4
Molecular Weight498.32 g/mol
Exact Mass498.03
IUPAC Name[acetyloxy-(1-naphthalen-1-ylnaphthalen-2-yl)-lambda3-iodanyl] acetate
SMILESCC(=O)OI(OC(C)=O)c1ccc2ccccc2c1-c1cccc2ccccc12
InChIInChI=1S/C24H19IO4/c1-16(26)28-25(29-17(2)27)23-15-14-19-9-4-6-12-21(19)24(23)22-13-7-10-18-8-3-5-11-20(18)22/h3-15H,1-2H3
InChIKeyHXCZDPOLPMNYHC-UHFFFAOYSA-N
XLogP6.29
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.32
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [acetyloxy-(1-naphthalen-1-ylnaphthalen-2-yl)-lambda3-iodanyl] acetate?
The IUPAC name of [acetyloxy-(1-naphthalen-1-ylnaphthalen-2-yl)-lambda3-iodanyl] acetate (CID 14686542) is [acetyloxy-(1-naphthalen-1-ylnaphthalen-2-yl)-lambda3-iodanyl] acetate.
What is the SMILES notation for [acetyloxy-(1-naphthalen-1-ylnaphthalen-2-yl)-lambda3-iodanyl] acetate?
The canonical SMILES for [acetyloxy-(1-naphthalen-1-ylnaphthalen-2-yl)-lambda3-iodanyl] acetate is CC(=O)OI(OC(C)=O)c1ccc2ccccc2c1-c1cccc2ccccc12.
What is the InChIKey of [acetyloxy-(1-naphthalen-1-ylnaphthalen-2-yl)-lambda3-iodanyl] acetate?
The InChIKey is HXCZDPOLPMNYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19IO4/c1-16(26)28-25(29-17(2)27)23-15-14-19-9-4-6-12-21(19)24(23)22-13-7-10-18-8-3-5-11-20(18)22/h3-15H,1-2H3.
What are the key properties of [acetyloxy-(1-naphthalen-1-ylnaphthalen-2-yl)-lambda3-iodanyl] acetate?
[acetyloxy-(1-naphthalen-1-ylnaphthalen-2-yl)-lambda3-iodanyl] acetate has a molecular weight of 498.32 g/mol, XLogP of 6.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy-(1-naphthalen-1-ylnaphthalen-2-yl)-lambda3-iodanyl] acetate is sourced from PubChem (CID 14686542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).