2-(3-iodobenzoyl)benzo[f]chromen-3-one

C20H11IO3 — CID 42637353

IUPAC2-(3-iodobenzoyl)benzo[f]chromen-3-one
SMILESO=C(c1cccc(I)c1)c1cc2c(ccc3ccccc32)oc1=O
InChIInChI=1S/C20H11IO3/c21-14-6-3-5-13(10-14)19(22)17-11-16-15-7-2-1-4-12(15)8-9-18(16)24-20(17)23/h1-11H
InChIKeyIGKRQNAOZCUCQP-UHFFFAOYSA-N
MW426.21 g/mol
LogP4.78
Rot. Bonds2

About 2-(3-iodobenzoyl)benzo[f]chromen-3-one

2-(3-iodobenzoyl)benzo[f]chromen-3-one (PubChem CID 42637353) has the molecular formula C20H11IO3 and a molecular weight of 426.21 g/mol. Its IUPAC name is 2-(3-iodobenzoyl)benzo[f]chromen-3-one.

Molecular Properties

Compound Name2-(3-iodobenzoyl)benzo[f]chromen-3-one
PubChem CID42637353
Molecular FormulaC20H11IO3
Molecular Weight426.21 g/mol
Exact Mass425.98
IUPAC Name2-(3-iodobenzoyl)benzo[f]chromen-3-one
SMILESO=C(c1cccc(I)c1)c1cc2c(ccc3ccccc32)oc1=O
InChIInChI=1S/C20H11IO3/c21-14-6-3-5-13(10-14)19(22)17-11-16-15-7-2-1-4-12(15)8-9-18(16)24-20(17)23/h1-11H
InChIKeyIGKRQNAOZCUCQP-UHFFFAOYSA-N
XLogP4.78
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.21
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

2-(3-chlorobenzoyl)benzo[f]chromen-3-one
CID 42637349
2-(2,2-dimethylpropanoyl)benzo[f]chromen-3-one
CID 12060597
2-iodobenzo[f]chromen-3-one
CID 71734520
3-oxo-N-pyridin-4-ylbenzo[f]chromene-2-carboxamide
CID 2266147
3-oxo-N-(2-sulfanylphenyl)benzo[f]chromene-2-carboxamide
CID 878985
acetamido-[amino-(3-oxobenzo[f]chromen-2-yl)methylidene]azanium
CID 6989424
N-(2,5-dichlorophenyl)-3-oxobenzo[f]chromene-2-carboxamide
CID 3692477
(3-oxobenzo[f]chromen-1-yl)methyl 3-iodobenzoate
CID 3956996
2-(adamantane-1-carbonyl)benzo[f]chromen-3-one
CID 13067769
N-ethyl-3-oxo-N-phenylbenzo[f]chromene-2-carboxamide
CID 16645676
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-oxobenzo[f]chromene-2-carboxamide
CID 16917380
dimethyl 5-[(3-oxobenzo[f]chromene-2-carbonyl)amino]benzene-1,3-dicarboxylate
CID 6616120

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodobenzoyl)benzo[f]chromen-3-one?
The IUPAC name of 2-(3-iodobenzoyl)benzo[f]chromen-3-one (CID 42637353) is 2-(3-iodobenzoyl)benzo[f]chromen-3-one.
What is the SMILES notation for 2-(3-iodobenzoyl)benzo[f]chromen-3-one?
The canonical SMILES for 2-(3-iodobenzoyl)benzo[f]chromen-3-one is O=C(c1cccc(I)c1)c1cc2c(ccc3ccccc32)oc1=O.
What is the InChIKey of 2-(3-iodobenzoyl)benzo[f]chromen-3-one?
The InChIKey is IGKRQNAOZCUCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11IO3/c21-14-6-3-5-13(10-14)19(22)17-11-16-15-7-2-1-4-12(15)8-9-18(16)24-20(17)23/h1-11H.
What are the key properties of 2-(3-iodobenzoyl)benzo[f]chromen-3-one?
2-(3-iodobenzoyl)benzo[f]chromen-3-one has a molecular weight of 426.21 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodobenzoyl)benzo[f]chromen-3-one is sourced from PubChem (CID 42637353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).