(E)-1-(2-hydroxy-5-iodophenyl)-3-(4-nitrophenyl)prop-2-en-1-one

C15H10INO4 — CID 6447968

IUPAC(E)-1-(2-hydroxy-5-iodophenyl)-3-(4-nitrophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1cc(I)ccc1O
InChIInChI=1S/C15H10INO4/c16-11-4-8-15(19)13(9-11)14(18)7-3-10-1-5-12(6-2-10)17(20)21/h1-9,19H/b7-3+
InChIKeyIJZJOJRUYKMLNY-XVNBXDOJSA-N
MW395.15 g/mol
LogP3.80
Rot. Bonds4

About (E)-1-(2-hydroxy-5-iodophenyl)-3-(4-nitrophenyl)prop-2-en-1-one

(E)-1-(2-hydroxy-5-iodophenyl)-3-(4-nitrophenyl)prop-2-en-1-one (PubChem CID 6447968) has the molecular formula C15H10INO4 and a molecular weight of 395.15 g/mol. Its IUPAC name is (E)-1-(2-hydroxy-5-iodophenyl)-3-(4-nitrophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-hydroxy-5-iodophenyl)-3-(4-nitrophenyl)prop-2-en-1-one
PubChem CID6447968
Molecular FormulaC15H10INO4
Molecular Weight395.15 g/mol
Exact Mass394.97
IUPAC Name(E)-1-(2-hydroxy-5-iodophenyl)-3-(4-nitrophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1cc(I)ccc1O
InChIInChI=1S/C15H10INO4/c16-11-4-8-15(19)13(9-11)14(18)7-3-10-1-5-12(6-2-10)17(20)21/h1-9,19H/b7-3+
InChIKeyIJZJOJRUYKMLNY-XVNBXDOJSA-N
XLogP3.80
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.15
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-hydroxy-5-iodophenyl)-3-(4-nitrophenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(2-hydroxy-5-iodophenyl)-3-(4-nitrophenyl)prop-2-en-1-one (CID 6447968) is (E)-1-(2-hydroxy-5-iodophenyl)-3-(4-nitrophenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2-hydroxy-5-iodophenyl)-3-(4-nitrophenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(2-hydroxy-5-iodophenyl)-3-(4-nitrophenyl)prop-2-en-1-one is O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1cc(I)ccc1O.
What is the InChIKey of (E)-1-(2-hydroxy-5-iodophenyl)-3-(4-nitrophenyl)prop-2-en-1-one?
The InChIKey is IJZJOJRUYKMLNY-XVNBXDOJSA-N. The full InChI is InChI=1S/C15H10INO4/c16-11-4-8-15(19)13(9-11)14(18)7-3-10-1-5-12(6-2-10)17(20)21/h1-9,19H/b7-3+.
What are the key properties of (E)-1-(2-hydroxy-5-iodophenyl)-3-(4-nitrophenyl)prop-2-en-1-one?
(E)-1-(2-hydroxy-5-iodophenyl)-3-(4-nitrophenyl)prop-2-en-1-one has a molecular weight of 395.15 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-hydroxy-5-iodophenyl)-3-(4-nitrophenyl)prop-2-en-1-one is sourced from PubChem (CID 6447968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).