6-chloro-3-(phenyl-λ3-iodanylidene)chromene-2,4-dione

C15H8ClIO3 — CID 101202383

IUPAC6-chloro-3-(phenyl-λ3-iodanylidene)chromene-2,4-dione
SMILESO=C1Oc2ccc(Cl)cc2C(=O)/C1=I/c1ccccc1
InChIInChI=1S/C15H8ClIO3/c16-9-6-7-12-11(8-9)14(18)13(15(19)20-12)17-10-4-2-1-3-5-10/h1-8H
InChIKeyRSPCQISGWYOBKM-UHFFFAOYSA-N
MW398.58 g/mol
LogP3.45
Rot. Bonds1

About 6-chloro-3-(phenyl-λ3-iodanylidene)chromene-2,4-dione

6-chloro-3-(phenyl-λ3-iodanylidene)chromene-2,4-dione (PubChem CID 101202383) has the molecular formula C15H8ClIO3 and a molecular weight of 398.58 g/mol. Its IUPAC name is 6-chloro-3-(phenyl-λ3-iodanylidene)chromene-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-(phenyl-λ3-iodanylidene)chromene-2,4-dione
PubChem CID101202383
Molecular FormulaC15H8ClIO3
Molecular Weight398.58 g/mol
Exact Mass397.92
IUPAC Name6-chloro-3-(phenyl-λ3-iodanylidene)chromene-2,4-dione
SMILESO=C1Oc2ccc(Cl)cc2C(=O)/C1=I/c1ccccc1
InChIInChI=1S/C15H8ClIO3/c16-9-6-7-12-11(8-9)14(18)13(15(19)20-12)17-10-4-2-1-3-5-10/h1-8H
InChIKeyRSPCQISGWYOBKM-UHFFFAOYSA-N
XLogP3.45
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.58
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 6-chloro-3-(phenyl-λ3-iodanylidene)chromene-2,4-dione 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

(2Z)-5-chloro-2-[(2-fluorophenyl)methylidene]-1-benzofuran-3-one
CID 18823459
2-methyl-4-(phenyl-lambda3-iodanylidene)-1-benzoxepine-3,5-dione
CID 14959974
3-chlorobenzo[b][1]benzoxepine-5,6-dicarboxylic acid
CID 59800201
(2Z)-5-chloro-2-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-1-benzofuran-3-one
CID 18823708
4-chloro-1-ethyl-2-phenylbenzene
CID 90346891
(2Z)-5-chloro-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one
CID 18823473
6-chloro-3-(7-chloro-1,4-dioxo-3-phenylnaphthalen-2-yl)-2-phenylnaphthalene-1,4-dione
CID 141466090
3-chloro-6-[2-(dimethylhydrazinylidene)ethylidene]benzo[b][1]benzoxepin-5-one
CID 69364022
3-benzylidene-5-chloro-2-benzofuran-1-one
CID 156772309
(3S)-5-chloro-3-phenyl-3H-1-benzofuran-2-one
CID 877373
5-chloro-3-phenyl-3H-1-benzofuran-2-one
CID 2876746
3-chlorophenanthrene-9,10-dione
CID 67151037

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(phenyl-λ3-iodanylidene)chromene-2,4-dione?
The IUPAC name of 6-chloro-3-(phenyl-λ3-iodanylidene)chromene-2,4-dione (CID 101202383) is 6-chloro-3-(phenyl-λ3-iodanylidene)chromene-2,4-dione.
What is the SMILES notation for 6-chloro-3-(phenyl-λ3-iodanylidene)chromene-2,4-dione?
The canonical SMILES for 6-chloro-3-(phenyl-λ3-iodanylidene)chromene-2,4-dione is O=C1Oc2ccc(Cl)cc2C(=O)/C1=I/c1ccccc1.
What is the InChIKey of 6-chloro-3-(phenyl-λ3-iodanylidene)chromene-2,4-dione?
The InChIKey is RSPCQISGWYOBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClIO3/c16-9-6-7-12-11(8-9)14(18)13(15(19)20-12)17-10-4-2-1-3-5-10/h1-8H.
What are the key properties of 6-chloro-3-(phenyl-λ3-iodanylidene)chromene-2,4-dione?
6-chloro-3-(phenyl-λ3-iodanylidene)chromene-2,4-dione has a molecular weight of 398.58 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(phenyl-λ3-iodanylidene)chromene-2,4-dione is sourced from PubChem (CID 101202383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).