1-iodo-4-(3-phenylprop-2-enoxymethyl)benzene

C16H15IO — CID 77070500

IUPAC1-iodo-4-(3-phenylprop-2-enoxymethyl)benzene
SMILESIc1ccc(COCC=Cc2ccccc2)cc1
InChIInChI=1S/C16H15IO/c17-16-10-8-15(9-11-16)13-18-12-4-7-14-5-2-1-3-6-14/h1-11H,12-13H2
InChIKeyQWGCQXWEVHSUDX-UHFFFAOYSA-N
MW350.20 g/mol
LogP4.52
Rot. Bonds5

About 1-iodo-4-(3-phenylprop-2-enoxymethyl)benzene

1-iodo-4-(3-phenylprop-2-enoxymethyl)benzene (PubChem CID 77070500) has the molecular formula C16H15IO and a molecular weight of 350.20 g/mol. Its IUPAC name is 1-iodo-4-(3-phenylprop-2-enoxymethyl)benzene.

Molecular Properties

Compound Name1-iodo-4-(3-phenylprop-2-enoxymethyl)benzene
PubChem CID77070500
Molecular FormulaC16H15IO
Molecular Weight350.20 g/mol
Exact Mass350.02
IUPAC Name1-iodo-4-(3-phenylprop-2-enoxymethyl)benzene
SMILESIc1ccc(COCC=Cc2ccccc2)cc1
InChIInChI=1S/C16H15IO/c17-16-10-8-15(9-11-16)13-18-12-4-7-14-5-2-1-3-6-14/h1-11H,12-13H2
InChIKeyQWGCQXWEVHSUDX-UHFFFAOYSA-N
XLogP4.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-tris[[(E)-3-phenylprop-2-enoxy]methyl]benzene
CID 15531172
1-nitro-4-[[(E)-3-phenylprop-2-enoxy]methyl]benzene
CID 10858524
1-fluoro-4-[(E)-3-phenylmethoxyprop-1-enyl]benzene
CID 11579619
[(E)-3-[(E)-4-iodobut-2-enoxy]prop-1-enyl]benzene
CID 135085265
1-[4-[(E)-3-phenylmethoxyprop-1-enyl]phenyl]ethanone
CID 11230907
1,2,3-trimethoxy-5-[[(E)-3-phenylprop-2-enoxy]methyl]benzene
CID 175119653
[(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene
CID 15531171
[(E)-4-iodobut-2-enoxy]methylbenzene
CID 11055319
3-bromo-5-[[(E)-3-phenylprop-2-enoxy]methyl]pyridine
CID 104809756
[(E)-4-phenylbut-2-enoxy]methylbenzene
CID 20826226
[4-[(4-iodophenyl)methoxymethyl]phenyl]-diphenylsulfanium
CID 165155213
2-[(Z)-3-phenylprop-2-enoxy]ethanol
CID 11679907

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-(3-phenylprop-2-enoxymethyl)benzene?
The IUPAC name of 1-iodo-4-(3-phenylprop-2-enoxymethyl)benzene (CID 77070500) is 1-iodo-4-(3-phenylprop-2-enoxymethyl)benzene.
What is the SMILES notation for 1-iodo-4-(3-phenylprop-2-enoxymethyl)benzene?
The canonical SMILES for 1-iodo-4-(3-phenylprop-2-enoxymethyl)benzene is Ic1ccc(COCC=Cc2ccccc2)cc1.
What is the InChIKey of 1-iodo-4-(3-phenylprop-2-enoxymethyl)benzene?
The InChIKey is QWGCQXWEVHSUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IO/c17-16-10-8-15(9-11-16)13-18-12-4-7-14-5-2-1-3-6-14/h1-11H,12-13H2.
What are the key properties of 1-iodo-4-(3-phenylprop-2-enoxymethyl)benzene?
1-iodo-4-(3-phenylprop-2-enoxymethyl)benzene has a molecular weight of 350.20 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-(3-phenylprop-2-enoxymethyl)benzene is sourced from PubChem (CID 77070500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).