(8-methyl-11-oxocyclohepta[b]chromen-8-yl)iodanuidylformic acid

C16H12IO4- — CID 152934890

IUPAC(8-methyl-11-oxocyclohepta[b]chromen-8-yl)iodanuidylformic acid
SMILESCC1([I-]C(=O)O)C=Cc2oc3ccccc3c(=O)c2C=C1
InChIInChI=1S/C16H12IO4/c1-16(17-15(19)20)8-6-11-13(7-9-16)21-12-5-3-2-4-10(12)14(11)18/h2-9H,1H3,(H,19,20)/q-1
InChIKeyUUIVGGIDJCHNAV-UHFFFAOYSA-N
MW395.17 g/mol
LogP0.36
Rot. Bonds2

About (8-methyl-11-oxocyclohepta[b]chromen-8-yl)iodanuidylformic acid

(8-methyl-11-oxocyclohepta[b]chromen-8-yl)iodanuidylformic acid (PubChem CID 152934890) has the molecular formula C16H12IO4- and a molecular weight of 395.17 g/mol. Its IUPAC name is (8-methyl-11-oxocyclohepta[b]chromen-8-yl)iodanuidylformic acid.

Molecular Properties

Compound Name(8-methyl-11-oxocyclohepta[b]chromen-8-yl)iodanuidylformic acid
PubChem CID152934890
Molecular FormulaC16H12IO4-
Molecular Weight395.17 g/mol
Exact Mass394.98
IUPAC Name(8-methyl-11-oxocyclohepta[b]chromen-8-yl)iodanuidylformic acid
SMILESCC1([I-]C(=O)O)C=Cc2oc3ccccc3c(=O)c2C=C1
InChIInChI=1S/C16H12IO4/c1-16(17-15(19)20)8-6-11-13(7-9-16)21-12-5-3-2-4-10(12)14(11)18/h2-9H,1H3,(H,19,20)/q-1
InChIKeyUUIVGGIDJCHNAV-UHFFFAOYSA-N
XLogP0.36
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.17
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (8-methyl-11-oxocyclohepta[b]chromen-8-yl)iodanuidylformic acid 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

8,8-dimethylcyclohepta[b][1]benzofuran
CID 123947483
2,2-dimethyl-1H-chromeno[3,4-f]quinolin-5-one
CID 142882633
3-methyl-4-oxochromene-2-carboxylic acid
CID 14958195
propane;xanthen-9-one
CID 90876458
3-hydroxy-2-phenylchromen-4-one;iron
CID 161072875
(4-oxo-2-phenylchromen-3-yl) 2-bromobenzoate
CID 1178206
5-(3-methyl-4-oxochromen-2-yl)-1,3-benzodioxole-2-carboxylic acid
CID 10336351
copper;chloroform;bis(4-oxo-2-phenylchromen-3-olate)
CID 139162743
2-amino-3-(2,2-dimethylpropanoyl)chromen-4-one
CID 175257537
3-acetyl-2-aminochromen-4-one
CID 23195665
(4-oxo-2-phenylchromen-3-yl) 2-methylprop-2-enoate
CID 2752530
3-[hydroxy(phenyl)methyl]-2-phenylchromen-4-one
CID 11077963

Frequently Asked Questions

What is the IUPAC name of (8-methyl-11-oxocyclohepta[b]chromen-8-yl)iodanuidylformic acid?
The IUPAC name of (8-methyl-11-oxocyclohepta[b]chromen-8-yl)iodanuidylformic acid (CID 152934890) is (8-methyl-11-oxocyclohepta[b]chromen-8-yl)iodanuidylformic acid.
What is the SMILES notation for (8-methyl-11-oxocyclohepta[b]chromen-8-yl)iodanuidylformic acid?
The canonical SMILES for (8-methyl-11-oxocyclohepta[b]chromen-8-yl)iodanuidylformic acid is CC1([I-]C(=O)O)C=Cc2oc3ccccc3c(=O)c2C=C1.
What is the InChIKey of (8-methyl-11-oxocyclohepta[b]chromen-8-yl)iodanuidylformic acid?
The InChIKey is UUIVGGIDJCHNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12IO4/c1-16(17-15(19)20)8-6-11-13(7-9-16)21-12-5-3-2-4-10(12)14(11)18/h2-9H,1H3,(H,19,20)/q-1.
What are the key properties of (8-methyl-11-oxocyclohepta[b]chromen-8-yl)iodanuidylformic acid?
(8-methyl-11-oxocyclohepta[b]chromen-8-yl)iodanuidylformic acid has a molecular weight of 395.17 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-11-oxocyclohepta[b]chromen-8-yl)iodanuidylformic acid is sourced from PubChem (CID 152934890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).