[(E)-4-iodobut-2-enoxy]methylbenzene

C11H13IO — CID 11055319

IUPAC[(E)-4-iodobut-2-enoxy]methylbenzene
SMILESIC/C=C/COCc1ccccc1
InChIInChI=1S/C11H13IO/c12-8-4-5-9-13-10-11-6-2-1-3-7-11/h1-7H,8-10H2/b5-4+
InChIKeyLYKVKRDDCBVFGT-SNAWJCMRSA-N
MW288.13 g/mol
LogP3.19
Rot. Bonds5

About [(E)-4-iodobut-2-enoxy]methylbenzene

[(E)-4-iodobut-2-enoxy]methylbenzene (PubChem CID 11055319) has the molecular formula C11H13IO and a molecular weight of 288.13 g/mol. Its IUPAC name is [(E)-4-iodobut-2-enoxy]methylbenzene.

Molecular Properties

Compound Name[(E)-4-iodobut-2-enoxy]methylbenzene
PubChem CID11055319
Molecular FormulaC11H13IO
Molecular Weight288.13 g/mol
Exact Mass288.00
IUPAC Name[(E)-4-iodobut-2-enoxy]methylbenzene
SMILESIC/C=C/COCc1ccccc1
InChIInChI=1S/C11H13IO/c12-8-4-5-9-13-10-11-6-2-1-3-7-11/h1-7H,8-10H2/b5-4+
InChIKeyLYKVKRDDCBVFGT-SNAWJCMRSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(E)-4-phenylbut-2-enoxy]methylbenzene
CID 20826226
[(E)-5-phenylmethoxypent-2-enoxy]methylbenzene
CID 10333986
[(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene
CID 11053131
5-phenylmethoxypent-3-enal
CID 54324259
[(Z)-3-chloroprop-2-enoxy]methylbenzene
CID 131246507
4-phenylmethoxybut-2-enal
CID 56616610
4-phenylmethoxybut-2-enyl methanesulfonate
CID 85381978
3-phenylmethoxyprop-1-enylboronic acid
CID 71358172
[(E)-3-[(E)-4-iodobut-2-enoxy]prop-1-enyl]benzene
CID 135085265
[(E)-3-phenylmethoxyprop-1-enyl]selanylbenzene
CID 71527754
(2E,4E)-6-phenylmethoxyhexa-2,4-dienal
CID 101487921
(Z)-4-phenylmethoxybut-2-enal;(Z)-4-phenylmethoxybut-2-en-1-ol
CID 165000791

Frequently Asked Questions

What is the IUPAC name of [(E)-4-iodobut-2-enoxy]methylbenzene?
The IUPAC name of [(E)-4-iodobut-2-enoxy]methylbenzene (CID 11055319) is [(E)-4-iodobut-2-enoxy]methylbenzene.
What is the SMILES notation for [(E)-4-iodobut-2-enoxy]methylbenzene?
The canonical SMILES for [(E)-4-iodobut-2-enoxy]methylbenzene is IC/C=C/COCc1ccccc1.
What is the InChIKey of [(E)-4-iodobut-2-enoxy]methylbenzene?
The InChIKey is LYKVKRDDCBVFGT-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H13IO/c12-8-4-5-9-13-10-11-6-2-1-3-7-11/h1-7H,8-10H2/b5-4+.
What are the key properties of [(E)-4-iodobut-2-enoxy]methylbenzene?
[(E)-4-iodobut-2-enoxy]methylbenzene has a molecular weight of 288.13 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-iodobut-2-enoxy]methylbenzene is sourced from PubChem (CID 11055319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).