(E)-4-iodo-3-(4-methoxyphenyl)-1-phenylbut-2-en-1-imine

C17H16INO — CID 130286274

IUPAC(E)-4-iodo-3-(4-methoxyphenyl)-1-phenylbut-2-en-1-imine
SMILES[H]/N=C(/C=C(/CI)c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C17H16INO/c1-20-16-9-7-13(8-10-16)15(12-18)11-17(19)14-5-3-2-4-6-14/h2-11,19H,12H2,1H3/b15-11-,19-17-
InChIKeyAGTZSVQJJVMNKM-YXKDWKSPSA-N
MW377.23 g/mol
LogP4.58
Rot. Bonds5

About (E)-4-iodo-3-(4-methoxyphenyl)-1-phenylbut-2-en-1-imine

(E)-4-iodo-3-(4-methoxyphenyl)-1-phenylbut-2-en-1-imine (PubChem CID 130286274) has the molecular formula C17H16INO and a molecular weight of 377.23 g/mol. Its IUPAC name is (E)-4-iodo-3-(4-methoxyphenyl)-1-phenylbut-2-en-1-imine.

Molecular Properties

Compound Name(E)-4-iodo-3-(4-methoxyphenyl)-1-phenylbut-2-en-1-imine
PubChem CID130286274
Molecular FormulaC17H16INO
Molecular Weight377.23 g/mol
Exact Mass377.03
IUPAC Name(E)-4-iodo-3-(4-methoxyphenyl)-1-phenylbut-2-en-1-imine
SMILES[H]/N=C(/C=C(/CI)c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C17H16INO/c1-20-16-9-7-13(8-10-16)15(12-18)11-17(19)14-5-3-2-4-6-14/h2-11,19H,12H2,1H3/b15-11-,19-17-
InChIKeyAGTZSVQJJVMNKM-YXKDWKSPSA-N
XLogP4.58
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl)-phenylmethanimine
CID 10856767
(E)-3-(4-methoxyphenyl)-1-phenylpent-2-en-1-one
CID 135075979
(2Z)-4-bromo-3-methyl-1-phenylpenta-2,4-dien-1-imine
CID 131981966
1-[(Z)-2,4-diphenylbut-2-enyl]-4-methoxybenzene
CID 101240761
methyl (Z)-4-bromo-3-(4-methoxyphenyl)but-2-enoate
CID 131873738
3-(4-methoxyanilino)-1-phenylpent-2-en-1-one
CID 3777683
ethyl (Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 10967969
ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 85223132
(Z)-4,4,4-trifluoro-1-(4-methoxyphenyl)-3-phenylbut-2-en-1-one
CID 102451178
(4-methoxyphenyl)methanimine;phenylmethanimine
CID 157101664
(Z)-4-(4-methoxyphenoxy)-2-phenylbut-2-en-1-ol
CID 134970181
(Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enal
CID 14547230

Frequently Asked Questions

What is the IUPAC name of (E)-4-iodo-3-(4-methoxyphenyl)-1-phenylbut-2-en-1-imine?
The IUPAC name of (E)-4-iodo-3-(4-methoxyphenyl)-1-phenylbut-2-en-1-imine (CID 130286274) is (E)-4-iodo-3-(4-methoxyphenyl)-1-phenylbut-2-en-1-imine.
What is the SMILES notation for (E)-4-iodo-3-(4-methoxyphenyl)-1-phenylbut-2-en-1-imine?
The canonical SMILES for (E)-4-iodo-3-(4-methoxyphenyl)-1-phenylbut-2-en-1-imine is [H]/N=C(/C=C(/CI)c1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of (E)-4-iodo-3-(4-methoxyphenyl)-1-phenylbut-2-en-1-imine?
The InChIKey is AGTZSVQJJVMNKM-YXKDWKSPSA-N. The full InChI is InChI=1S/C17H16INO/c1-20-16-9-7-13(8-10-16)15(12-18)11-17(19)14-5-3-2-4-6-14/h2-11,19H,12H2,1H3/b15-11-,19-17-.
What are the key properties of (E)-4-iodo-3-(4-methoxyphenyl)-1-phenylbut-2-en-1-imine?
(E)-4-iodo-3-(4-methoxyphenyl)-1-phenylbut-2-en-1-imine has a molecular weight of 377.23 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-iodo-3-(4-methoxyphenyl)-1-phenylbut-2-en-1-imine is sourced from PubChem (CID 130286274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).