8-(4-iodophenyl)-3,4-dihydroisochromen-1-one

C15H11IO2 — CID 20872219

IUPAC8-(4-iodophenyl)-3,4-dihydroisochromen-1-one
SMILESO=C1OCCc2cccc(-c3ccc(I)cc3)c21
InChIInChI=1S/C15H11IO2/c16-12-6-4-10(5-7-12)13-3-1-2-11-8-9-18-15(17)14(11)13/h1-7H,8-9H2
InChIKeyGDZIYKZRNKTGMP-UHFFFAOYSA-N
MW350.16 g/mol
LogP3.67
Rot. Bonds1

About 8-(4-iodophenyl)-3,4-dihydroisochromen-1-one

8-(4-iodophenyl)-3,4-dihydroisochromen-1-one (PubChem CID 20872219) has the molecular formula C15H11IO2 and a molecular weight of 350.16 g/mol. Its IUPAC name is 8-(4-iodophenyl)-3,4-dihydroisochromen-1-one.

Molecular Properties

Compound Name8-(4-iodophenyl)-3,4-dihydroisochromen-1-one
PubChem CID20872219
Molecular FormulaC15H11IO2
Molecular Weight350.16 g/mol
Exact Mass349.98
IUPAC Name8-(4-iodophenyl)-3,4-dihydroisochromen-1-one
SMILESO=C1OCCc2cccc(-c3ccc(I)cc3)c21
InChIInChI=1S/C15H11IO2/c16-12-6-4-10(5-7-12)13-3-1-2-11-8-9-18-15(17)14(11)13/h1-7H,8-9H2
InChIKeyGDZIYKZRNKTGMP-UHFFFAOYSA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.16
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(4-iodophenyl)-3,4-dihydroisochromen-1-one?
The IUPAC name of 8-(4-iodophenyl)-3,4-dihydroisochromen-1-one (CID 20872219) is 8-(4-iodophenyl)-3,4-dihydroisochromen-1-one.
What is the SMILES notation for 8-(4-iodophenyl)-3,4-dihydroisochromen-1-one?
The canonical SMILES for 8-(4-iodophenyl)-3,4-dihydroisochromen-1-one is O=C1OCCc2cccc(-c3ccc(I)cc3)c21.
What is the InChIKey of 8-(4-iodophenyl)-3,4-dihydroisochromen-1-one?
The InChIKey is GDZIYKZRNKTGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11IO2/c16-12-6-4-10(5-7-12)13-3-1-2-11-8-9-18-15(17)14(11)13/h1-7H,8-9H2.
What are the key properties of 8-(4-iodophenyl)-3,4-dihydroisochromen-1-one?
8-(4-iodophenyl)-3,4-dihydroisochromen-1-one has a molecular weight of 350.16 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-iodophenyl)-3,4-dihydroisochromen-1-one is sourced from PubChem (CID 20872219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).