6-iodo-5-methoxy-4-methylchromen-2-one

C11H9IO3 — CID 121217791

IUPAC6-iodo-5-methoxy-4-methylchromen-2-one
SMILESCOc1c(I)ccc2oc(=O)cc(C)c12
InChIInChI=1S/C11H9IO3/c1-6-5-9(13)15-8-4-3-7(12)11(14-2)10(6)8/h3-5H,1-2H3
InChIKeyBKHCZTNNFKOLOB-UHFFFAOYSA-N
MW316.09 g/mol
LogP2.71
Rot. Bonds1

About 6-iodo-5-methoxy-4-methylchromen-2-one

6-iodo-5-methoxy-4-methylchromen-2-one (PubChem CID 121217791) has the molecular formula C11H9IO3 and a molecular weight of 316.09 g/mol. Its IUPAC name is 6-iodo-5-methoxy-4-methylchromen-2-one.

Molecular Properties

Compound Name6-iodo-5-methoxy-4-methylchromen-2-one
PubChem CID121217791
Molecular FormulaC11H9IO3
Molecular Weight316.09 g/mol
Exact Mass315.96
IUPAC Name6-iodo-5-methoxy-4-methylchromen-2-one
SMILESCOc1c(I)ccc2oc(=O)cc(C)c12
InChIInChI=1S/C11H9IO3/c1-6-5-9(13)15-8-4-3-7(12)11(14-2)10(6)8/h3-5H,1-2H3
InChIKeyBKHCZTNNFKOLOB-UHFFFAOYSA-N
XLogP2.71
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.09
LogP ≤ 52.71
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'}

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Related Compounds

5-methoxy-4-methylchromen-2-one
CID 11286956
4,10-dimethylpyrano[2,3-f]chromene-2,8-dione
CID 1234115
9-methyl-3H-pyrano[3,2-e]indol-7-one
CID 11708244
4,6-dimethylchromen-2-one;molecular hydrogen
CID 143310046
10-methoxy-4-methyl-7,22-dioxa-12-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2,4,8,10,15,17,19-octaene-6,13,21-trione
CID 11100838
4,5-dimethylfuro[3,2-g]chromen-7-one
CID 22367452
4-methylpyrano[2,3-f]chromene-2,8-dione
CID 13165001
8-iodo-4-methylchromen-2-one
CID 130067017
6,7-dimethoxy-5-methyl-4-methylsulfanylchromen-2-one
CID 14804149
5-(aminomethyl)-6-hydroxy-4-methylchromen-2-one
CID 12857252
9-amino-4,8-dimethylfuro[2,3-h]chromen-2-one
CID 131858865
3-bromo-1-iodo-2-methoxy-4-methylbenzene
CID 171033325

Frequently Asked Questions

What is the IUPAC name of 6-iodo-5-methoxy-4-methylchromen-2-one?
The IUPAC name of 6-iodo-5-methoxy-4-methylchromen-2-one (CID 121217791) is 6-iodo-5-methoxy-4-methylchromen-2-one.
What is the SMILES notation for 6-iodo-5-methoxy-4-methylchromen-2-one?
The canonical SMILES for 6-iodo-5-methoxy-4-methylchromen-2-one is COc1c(I)ccc2oc(=O)cc(C)c12.
What is the InChIKey of 6-iodo-5-methoxy-4-methylchromen-2-one?
The InChIKey is BKHCZTNNFKOLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IO3/c1-6-5-9(13)15-8-4-3-7(12)11(14-2)10(6)8/h3-5H,1-2H3.
What are the key properties of 6-iodo-5-methoxy-4-methylchromen-2-one?
6-iodo-5-methoxy-4-methylchromen-2-one has a molecular weight of 316.09 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-5-methoxy-4-methylchromen-2-one is sourced from PubChem (CID 121217791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).