(Z)-2-iodo-3-methoxy-1,3-diphenylprop-2-en-1-one

C16H13IO2 — CID 102130770

IUPAC(Z)-2-iodo-3-methoxy-1,3-diphenylprop-2-en-1-one
SMILESCO/C(=C(\I)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H13IO2/c1-19-16(13-10-6-3-7-11-13)14(17)15(18)12-8-4-2-5-9-12/h2-11H,1H3/b16-14-
InChIKeyIHLHSOHIDKBJNG-PEZBUJJGSA-N
MW364.18 g/mol
LogP4.32
Rot. Bonds4

About (Z)-2-iodo-3-methoxy-1,3-diphenylprop-2-en-1-one

(Z)-2-iodo-3-methoxy-1,3-diphenylprop-2-en-1-one (PubChem CID 102130770) has the molecular formula C16H13IO2 and a molecular weight of 364.18 g/mol. Its IUPAC name is (Z)-2-iodo-3-methoxy-1,3-diphenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-2-iodo-3-methoxy-1,3-diphenylprop-2-en-1-one
PubChem CID102130770
Molecular FormulaC16H13IO2
Molecular Weight364.18 g/mol
Exact Mass364.00
IUPAC Name(Z)-2-iodo-3-methoxy-1,3-diphenylprop-2-en-1-one
SMILESCO/C(=C(\I)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H13IO2/c1-19-16(13-10-6-3-7-11-13)14(17)15(18)12-8-4-2-5-9-12/h2-11H,1H3/b16-14-
InChIKeyIHLHSOHIDKBJNG-PEZBUJJGSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.18
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-2-iodo-3-methoxy-1,3-diphenylprop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-methoxy-2-methyl-1,3-diphenylprop-2-en-1-one
CID 101099005
3-methoxy-2-methyl-3-phenylprop-2-enoic acid
CID 57324055
3-methoxy-2,3-diphenylprop-2-enoic acid
CID 69030930
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
methyl 2-oxo-2-phenylacetate;nitroxyl
CID 172720309
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
1,2-diphenylethane-1,2-dione;iron
CID 70488368
4-(1,2-dimethoxy-2-phenylethenyl)phenol
CID 91321560
3-methoxy-2,3-diphenylprop-2-enal
CID 76537180

Frequently Asked Questions

What is the IUPAC name of (Z)-2-iodo-3-methoxy-1,3-diphenylprop-2-en-1-one?
The IUPAC name of (Z)-2-iodo-3-methoxy-1,3-diphenylprop-2-en-1-one (CID 102130770) is (Z)-2-iodo-3-methoxy-1,3-diphenylprop-2-en-1-one.
What is the SMILES notation for (Z)-2-iodo-3-methoxy-1,3-diphenylprop-2-en-1-one?
The canonical SMILES for (Z)-2-iodo-3-methoxy-1,3-diphenylprop-2-en-1-one is CO/C(=C(\I)C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-2-iodo-3-methoxy-1,3-diphenylprop-2-en-1-one?
The InChIKey is IHLHSOHIDKBJNG-PEZBUJJGSA-N. The full InChI is InChI=1S/C16H13IO2/c1-19-16(13-10-6-3-7-11-13)14(17)15(18)12-8-4-2-5-9-12/h2-11H,1H3/b16-14-.
What are the key properties of (Z)-2-iodo-3-methoxy-1,3-diphenylprop-2-en-1-one?
(Z)-2-iodo-3-methoxy-1,3-diphenylprop-2-en-1-one has a molecular weight of 364.18 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-iodo-3-methoxy-1,3-diphenylprop-2-en-1-one is sourced from PubChem (CID 102130770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).