3-iodo-2-phenyl-1-prop-1-en-2-yl-1H-indene

C18H15I — CID 102054669

IUPAC3-iodo-2-phenyl-1-prop-1-en-2-yl-1H-indene
SMILESC=C(C)C1C(c2ccccc2)=C(I)c2ccccc21
InChIInChI=1S/C18H15I/c1-12(2)16-14-10-6-7-11-15(14)18(19)17(16)13-8-4-3-5-9-13/h3-11,16H,1H2,2H3
InChIKeyTYUTYDPODQNNQZ-UHFFFAOYSA-N
MW358.22 g/mol
LogP5.66
Rot. Bonds2

About 3-iodo-2-phenyl-1-prop-1-en-2-yl-1H-indene

3-iodo-2-phenyl-1-prop-1-en-2-yl-1H-indene (PubChem CID 102054669) has the molecular formula C18H15I and a molecular weight of 358.22 g/mol. Its IUPAC name is 3-iodo-2-phenyl-1-prop-1-en-2-yl-1H-indene.

Molecular Properties

Compound Name3-iodo-2-phenyl-1-prop-1-en-2-yl-1H-indene
PubChem CID102054669
Molecular FormulaC18H15I
Molecular Weight358.22 g/mol
Exact Mass358.02
IUPAC Name3-iodo-2-phenyl-1-prop-1-en-2-yl-1H-indene
SMILESC=C(C)C1C(c2ccccc2)=C(I)c2ccccc21
InChIInChI=1S/C18H15I/c1-12(2)16-14-10-6-7-11-15(14)18(19)17(16)13-8-4-3-5-9-13/h3-11,16H,1H2,2H3
InChIKeyTYUTYDPODQNNQZ-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.22
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-3-iodo-2-phenyl-1-prop-1-en-2-yl-1H-indene
CID 135034814
3-bromo-2-phenyl-1-prop-1-en-2-yl-1H-indene
CID 102054673
1-ethyl-3-iodo-2-phenyl-1H-indene
CID 134982592
(1S)-2-phenyl-1-prop-1-en-2-yl-1H-indene
CID 134964363
2-(2-methylphenyl)-9-prop-1-en-2-yl-9H-fluorene
CID 163547179
4-iodo-1-[(2-methylpropan-2-yl)oxy]-3-phenyl-1H-isochromene
CID 11618355
1,2-diphenyl-3-prop-1-en-2-ylbenzene
CID 142394581
9-but-2-en-2-yl-9H-fluorene
CID 58635963
2-phenyl-6-prop-1-en-2-ylphenol
CID 154380547
3-fluoro-1-methyl-2-phenyl-1H-indene
CID 86003078
1-tert-butyl-3-(2-methylprop-1-enyl)-2-phenyl-1H-indene
CID 71373786
methanol;9-[2-(4-phenylphenyl)phenyl]-9H-fluorene
CID 175245609

Frequently Asked Questions

What is the IUPAC name of 3-iodo-2-phenyl-1-prop-1-en-2-yl-1H-indene?
The IUPAC name of 3-iodo-2-phenyl-1-prop-1-en-2-yl-1H-indene (CID 102054669) is 3-iodo-2-phenyl-1-prop-1-en-2-yl-1H-indene.
What is the SMILES notation for 3-iodo-2-phenyl-1-prop-1-en-2-yl-1H-indene?
The canonical SMILES for 3-iodo-2-phenyl-1-prop-1-en-2-yl-1H-indene is C=C(C)C1C(c2ccccc2)=C(I)c2ccccc21.
What is the InChIKey of 3-iodo-2-phenyl-1-prop-1-en-2-yl-1H-indene?
The InChIKey is TYUTYDPODQNNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15I/c1-12(2)16-14-10-6-7-11-15(14)18(19)17(16)13-8-4-3-5-9-13/h3-11,16H,1H2,2H3.
What are the key properties of 3-iodo-2-phenyl-1-prop-1-en-2-yl-1H-indene?
3-iodo-2-phenyl-1-prop-1-en-2-yl-1H-indene has a molecular weight of 358.22 g/mol, XLogP of 5.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2-phenyl-1-prop-1-en-2-yl-1H-indene is sourced from PubChem (CID 102054669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).