1-ethyl-3-iodo-2-phenyl-1H-indene

C17H15I — CID 134982592

IUPAC1-ethyl-3-iodo-2-phenyl-1H-indene
SMILESCCC1C(c2ccccc2)=C(I)c2ccccc21
InChIInChI=1S/C17H15I/c1-2-13-14-10-6-7-11-15(14)17(18)16(13)12-8-4-3-5-9-12/h3-11,13H,2H2,1H3
InChIKeyHFWFZIOZECMDAC-UHFFFAOYSA-N
MW346.21 g/mol
LogP5.50
Rot. Bonds2

About 1-ethyl-3-iodo-2-phenyl-1H-indene

1-ethyl-3-iodo-2-phenyl-1H-indene (PubChem CID 134982592) has the molecular formula C17H15I and a molecular weight of 346.21 g/mol. Its IUPAC name is 1-ethyl-3-iodo-2-phenyl-1H-indene.

Molecular Properties

Compound Name1-ethyl-3-iodo-2-phenyl-1H-indene
PubChem CID134982592
Molecular FormulaC17H15I
Molecular Weight346.21 g/mol
Exact Mass346.02
IUPAC Name1-ethyl-3-iodo-2-phenyl-1H-indene
SMILESCCC1C(c2ccccc2)=C(I)c2ccccc21
InChIInChI=1S/C17H15I/c1-2-13-14-10-6-7-11-15(14)17(18)16(13)12-8-4-3-5-9-12/h3-11,13H,2H2,1H3
InChIKeyHFWFZIOZECMDAC-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.21
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-iodo-2-phenyl-1H-indene?
The IUPAC name of 1-ethyl-3-iodo-2-phenyl-1H-indene (CID 134982592) is 1-ethyl-3-iodo-2-phenyl-1H-indene.
What is the SMILES notation for 1-ethyl-3-iodo-2-phenyl-1H-indene?
The canonical SMILES for 1-ethyl-3-iodo-2-phenyl-1H-indene is CCC1C(c2ccccc2)=C(I)c2ccccc21.
What is the InChIKey of 1-ethyl-3-iodo-2-phenyl-1H-indene?
The InChIKey is HFWFZIOZECMDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15I/c1-2-13-14-10-6-7-11-15(14)17(18)16(13)12-8-4-3-5-9-12/h3-11,13H,2H2,1H3.
What are the key properties of 1-ethyl-3-iodo-2-phenyl-1H-indene?
1-ethyl-3-iodo-2-phenyl-1H-indene has a molecular weight of 346.21 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-iodo-2-phenyl-1H-indene is sourced from PubChem (CID 134982592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).