3-iodo-6-phenylchromen-2-one

C15H9IO2 — CID 71734439

IUPAC3-iodo-6-phenylchromen-2-one
SMILESO=c1oc2ccc(-c3ccccc3)cc2cc1I
InChIInChI=1S/C15H9IO2/c16-13-9-12-8-11(10-4-2-1-3-5-10)6-7-14(12)18-15(13)17/h1-9H
InChIKeyCUJYVOMKZQICPC-UHFFFAOYSA-N
MW348.14 g/mol
LogP4.06
Rot. Bonds1

About 3-iodo-6-phenylchromen-2-one

3-iodo-6-phenylchromen-2-one (PubChem CID 71734439) has the molecular formula C15H9IO2 and a molecular weight of 348.14 g/mol. Its IUPAC name is 3-iodo-6-phenylchromen-2-one.

Molecular Properties

Compound Name3-iodo-6-phenylchromen-2-one
PubChem CID71734439
Molecular FormulaC15H9IO2
Molecular Weight348.14 g/mol
Exact Mass347.96
IUPAC Name3-iodo-6-phenylchromen-2-one
SMILESO=c1oc2ccc(-c3ccccc3)cc2cc1I
InChIInChI=1S/C15H9IO2/c16-13-9-12-8-11(10-4-2-1-3-5-10)6-7-14(12)18-15(13)17/h1-9H
InChIKeyCUJYVOMKZQICPC-UHFFFAOYSA-N
XLogP4.06
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.14
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-6-phenylchromen-2-one?
The IUPAC name of 3-iodo-6-phenylchromen-2-one (CID 71734439) is 3-iodo-6-phenylchromen-2-one.
What is the SMILES notation for 3-iodo-6-phenylchromen-2-one?
The canonical SMILES for 3-iodo-6-phenylchromen-2-one is O=c1oc2ccc(-c3ccccc3)cc2cc1I.
What is the InChIKey of 3-iodo-6-phenylchromen-2-one?
The InChIKey is CUJYVOMKZQICPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9IO2/c16-13-9-12-8-11(10-4-2-1-3-5-10)6-7-14(12)18-15(13)17/h1-9H.
What are the key properties of 3-iodo-6-phenylchromen-2-one?
3-iodo-6-phenylchromen-2-one has a molecular weight of 348.14 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-6-phenylchromen-2-one is sourced from PubChem (CID 71734439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).