8-iodo-4-methylchromen-2-one

C10H7IO2 — CID 130067017

IUPAC8-iodo-4-methylchromen-2-one
SMILESCc1cc(=O)oc2c(I)cccc12
InChIInChI=1S/C10H7IO2/c1-6-5-9(12)13-10-7(6)3-2-4-8(10)11/h2-5H,1H3
InChIKeyAHHBJTQKXGAHMR-UHFFFAOYSA-N
MW286.07 g/mol
LogP2.71
Rot. Bonds

About 8-iodo-4-methylchromen-2-one

8-iodo-4-methylchromen-2-one (PubChem CID 130067017) has the molecular formula C10H7IO2 and a molecular weight of 286.07 g/mol. Its IUPAC name is 8-iodo-4-methylchromen-2-one.

Molecular Properties

Compound Name8-iodo-4-methylchromen-2-one
PubChem CID130067017
Molecular FormulaC10H7IO2
Molecular Weight286.07 g/mol
Exact Mass285.95
IUPAC Name8-iodo-4-methylchromen-2-one
SMILESCc1cc(=O)oc2c(I)cccc12
InChIInChI=1S/C10H7IO2/c1-6-5-9(12)13-10-7(6)3-2-4-8(10)11/h2-5H,1H3
InChIKeyAHHBJTQKXGAHMR-UHFFFAOYSA-N
XLogP2.71
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.07
LogP ≤ 52.71
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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Related Compounds

4-methyl-8-propan-2-ylchromen-2-one
CID 71446036
4-methyl-8-propan-2-yloxychromen-2-one
CID 144546530
4-methyl-8-phenoxychromen-2-one
CID 86228952
2-(4-methyl-2-oxochromen-8-yl)oxyacetamide
CID 87996295
4,10-dimethylpyrano[2,3-f]chromene-2,8-dione
CID 1234115
2-hydroxy-N-(4-methyl-2-oxochromen-8-yl)acetamide
CID 91296883
4-methylpyrano[2,3-a]xanthene-2,12-dione
CID 13270680
4-hydroxy-8-methylchromen-2-one
CID 54676122
4-methylpyrano[2,3-f]chromene-2,8-dione
CID 13165001
8-iodo-4-methyl-7-(2-oxopropoxy)chromen-2-one
CID 1369817
dimethyltin;4-methylchromen-2-one
CID 175284443
8-iodo-4-methyl-7-propoxychromen-2-one
CID 2209642

Frequently Asked Questions

What is the IUPAC name of 8-iodo-4-methylchromen-2-one?
The IUPAC name of 8-iodo-4-methylchromen-2-one (CID 130067017) is 8-iodo-4-methylchromen-2-one.
What is the SMILES notation for 8-iodo-4-methylchromen-2-one?
The canonical SMILES for 8-iodo-4-methylchromen-2-one is Cc1cc(=O)oc2c(I)cccc12.
What is the InChIKey of 8-iodo-4-methylchromen-2-one?
The InChIKey is AHHBJTQKXGAHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7IO2/c1-6-5-9(12)13-10-7(6)3-2-4-8(10)11/h2-5H,1H3.
What are the key properties of 8-iodo-4-methylchromen-2-one?
8-iodo-4-methylchromen-2-one has a molecular weight of 286.07 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-iodo-4-methylchromen-2-one is sourced from PubChem (CID 130067017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).