2-iodobenzo[f]chromen-3-one

C13H7IO2 — CID 71734520

IUPAC2-iodobenzo[f]chromen-3-one
SMILESO=c1oc2ccc3ccccc3c2cc1I
InChIInChI=1S/C13H7IO2/c14-11-7-10-9-4-2-1-3-8(9)5-6-12(10)16-13(11)15/h1-7H
InChIKeyBPIGKATYVKIYAS-UHFFFAOYSA-N
MW322.10 g/mol
LogP3.55
Rot. Bonds

About 2-iodobenzo[f]chromen-3-one

2-iodobenzo[f]chromen-3-one (PubChem CID 71734520) has the molecular formula C13H7IO2 and a molecular weight of 322.10 g/mol. Its IUPAC name is 2-iodobenzo[f]chromen-3-one.

Molecular Properties

Compound Name2-iodobenzo[f]chromen-3-one
PubChem CID71734520
Molecular FormulaC13H7IO2
Molecular Weight322.10 g/mol
Exact Mass321.95
IUPAC Name2-iodobenzo[f]chromen-3-one
SMILESO=c1oc2ccc3ccccc3c2cc1I
InChIInChI=1S/C13H7IO2/c14-11-7-10-9-4-2-1-3-8(9)5-6-12(10)16-13(11)15/h1-7H
InChIKeyBPIGKATYVKIYAS-UHFFFAOYSA-N
XLogP3.55
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.10
LogP ≤ 53.55
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-iodobenzo[f]chromen-3-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

2-nitrobenzo[f]chromen-3-one
CID 13399886
2-(3-iodobenzoyl)benzo[f]chromen-3-one
CID 42637353
2-butylbenzo[f]chromen-3-one
CID 162410575
2-(4-hydroxyphenyl)benzo[f]chromen-3-one
CID 102366848
2-(2,2-dimethylpropanoyl)benzo[f]chromen-3-one
CID 12060597
2-(4-anthracen-9-ylphenyl)benzo[f]chromen-3-one
CID 102171378
2-[4-(4-hydroxyphenyl)-6-(3-oxobenzo[f]chromen-2-yl)-2-pyridinyl]benzo[f]chromen-3-one
CID 155812709
3,14-dioxatetracyclo[14.2.2.04,13.05,10]icosa-1(19),4(13),5,7,9,11,16(20),17-octaene-2,15-dione
CID 67403426
3-oxo-N-(2-sulfanylphenyl)benzo[f]chromene-2-carboxamide
CID 878985
2-(1H-benzimidazol-3-ium-2-yl)benzo[f]chromen-3-one
CID 2054739
naphtho[1,2-c]chromen-5-one
CID 102526290
3-iodo-6-phenylchromen-2-one
CID 71734439

Frequently Asked Questions

What is the IUPAC name of 2-iodobenzo[f]chromen-3-one?
The IUPAC name of 2-iodobenzo[f]chromen-3-one (CID 71734520) is 2-iodobenzo[f]chromen-3-one.
What is the SMILES notation for 2-iodobenzo[f]chromen-3-one?
The canonical SMILES for 2-iodobenzo[f]chromen-3-one is O=c1oc2ccc3ccccc3c2cc1I.
What is the InChIKey of 2-iodobenzo[f]chromen-3-one?
The InChIKey is BPIGKATYVKIYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7IO2/c14-11-7-10-9-4-2-1-3-8(9)5-6-12(10)16-13(11)15/h1-7H.
What are the key properties of 2-iodobenzo[f]chromen-3-one?
2-iodobenzo[f]chromen-3-one has a molecular weight of 322.10 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodobenzo[f]chromen-3-one is sourced from PubChem (CID 71734520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).