1-iodo-2-[(E)-3-phenylprop-2-enoxy]benzene

C15H13IO — CID 11198459

IUPAC1-iodo-2-[(E)-3-phenylprop-2-enoxy]benzene
SMILESIc1ccccc1OC/C=C/c1ccccc1
InChIInChI=1S/C15H13IO/c16-14-10-4-5-11-15(14)17-12-6-9-13-7-2-1-3-8-13/h1-11H,12H2/b9-6+
InChIKeyJEFCRSJVMHGBFF-RMKNXTFCSA-N
MW336.17 g/mol
LogP4.38
Rot. Bonds4

About 1-iodo-2-[(E)-3-phenylprop-2-enoxy]benzene

1-iodo-2-[(E)-3-phenylprop-2-enoxy]benzene (PubChem CID 11198459) has the molecular formula C15H13IO and a molecular weight of 336.17 g/mol. Its IUPAC name is 1-iodo-2-[(E)-3-phenylprop-2-enoxy]benzene.

Molecular Properties

Compound Name1-iodo-2-[(E)-3-phenylprop-2-enoxy]benzene
PubChem CID11198459
Molecular FormulaC15H13IO
Molecular Weight336.17 g/mol
Exact Mass336.00
IUPAC Name1-iodo-2-[(E)-3-phenylprop-2-enoxy]benzene
SMILESIc1ccccc1OC/C=C/c1ccccc1
InChIInChI=1S/C15H13IO/c16-14-10-4-5-11-15(14)17-12-6-9-13-7-2-1-3-8-13/h1-11H,12H2/b9-6+
InChIKeyJEFCRSJVMHGBFF-RMKNXTFCSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.17
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-3-phenylprop-2-enoxy]phenol
CID 12554327
1-(4-chlorobut-2-enoxy)-2-iodobenzene
CID 77051500
4-(2-iodophenoxy)but-2-en-1-amine
CID 77110480
(E)-4-(2-iodophenoxy)but-2-enoic acid
CID 62342305
trifluoro-[2-(3-phenylprop-2-enoxy)phenyl]boranuide
CID 77016973
1-tert-butyl-2-(3-phenylprop-2-enoxy)benzene
CID 77053007
[2-(3-phenylprop-2-enoxy)phenyl]methanimine
CID 173167244
(1S)-1-[2-(3-phenylprop-2-enoxy)phenyl]ethanamine
CID 78936519
8-[(E)-3-phenylprop-2-enoxy]quinoline
CID 66545724
5-iodo-4-(3-phenylprop-2-enoxy)pyrimidine
CID 77124768
N-[2-[(E)-3-phenylprop-2-enoxy]phenyl]acetamide
CID 13123868
4-fluoro-2-nitroso-1-[(Z)-3-phenylprop-2-enoxy]benzene
CID 89128134

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-[(E)-3-phenylprop-2-enoxy]benzene?
The IUPAC name of 1-iodo-2-[(E)-3-phenylprop-2-enoxy]benzene (CID 11198459) is 1-iodo-2-[(E)-3-phenylprop-2-enoxy]benzene.
What is the SMILES notation for 1-iodo-2-[(E)-3-phenylprop-2-enoxy]benzene?
The canonical SMILES for 1-iodo-2-[(E)-3-phenylprop-2-enoxy]benzene is Ic1ccccc1OC/C=C/c1ccccc1.
What is the InChIKey of 1-iodo-2-[(E)-3-phenylprop-2-enoxy]benzene?
The InChIKey is JEFCRSJVMHGBFF-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H13IO/c16-14-10-4-5-11-15(14)17-12-6-9-13-7-2-1-3-8-13/h1-11H,12H2/b9-6+.
What are the key properties of 1-iodo-2-[(E)-3-phenylprop-2-enoxy]benzene?
1-iodo-2-[(E)-3-phenylprop-2-enoxy]benzene has a molecular weight of 336.17 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-[(E)-3-phenylprop-2-enoxy]benzene is sourced from PubChem (CID 11198459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).