3-iodo-6-methyl-2-phenylchromen-4-one

C16H11IO2 — CID 164665609

IUPAC3-iodo-6-methyl-2-phenylchromen-4-one
SMILESCc1ccc2oc(-c3ccccc3)c(I)c(=O)c2c1
InChIInChI=1S/C16H11IO2/c1-10-7-8-13-12(9-10)15(18)14(17)16(19-13)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyCRQGTGJBGHTEQT-UHFFFAOYSA-N
MW362.17 g/mol
LogP4.37
Rot. Bonds1

About 3-iodo-6-methyl-2-phenylchromen-4-one

3-iodo-6-methyl-2-phenylchromen-4-one (PubChem CID 164665609) has the molecular formula C16H11IO2 and a molecular weight of 362.17 g/mol. Its IUPAC name is 3-iodo-6-methyl-2-phenylchromen-4-one.

Molecular Properties

Compound Name3-iodo-6-methyl-2-phenylchromen-4-one
PubChem CID164665609
Molecular FormulaC16H11IO2
Molecular Weight362.17 g/mol
Exact Mass361.98
IUPAC Name3-iodo-6-methyl-2-phenylchromen-4-one
SMILESCc1ccc2oc(-c3ccccc3)c(I)c(=O)c2c1
InChIInChI=1S/C16H11IO2/c1-10-7-8-13-12(9-10)15(18)14(17)16(19-13)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyCRQGTGJBGHTEQT-UHFFFAOYSA-N
XLogP4.37
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.17
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ipriflavone
CID 3747
Flavonol
CID 11349
Flavanone
CID 10251
Flavone
CID 10680
Beta-Naphthoflavone
CID 2361
Xanthone
CID 7020
Isoflavone
CID 72304
6-Methoxyflavone
CID 147157
Flavone-8-Acetic Acid
CID 55748
5,7-Dimethoxyflavone
CID 88881
3-Methylchromone
CID 66569
2'-Hydroxyflavone
CID 161860

Frequently Asked Questions

What is the IUPAC name of 3-iodo-6-methyl-2-phenylchromen-4-one?
The IUPAC name of 3-iodo-6-methyl-2-phenylchromen-4-one (CID 164665609) is 3-iodo-6-methyl-2-phenylchromen-4-one.
What is the SMILES notation for 3-iodo-6-methyl-2-phenylchromen-4-one?
The canonical SMILES for 3-iodo-6-methyl-2-phenylchromen-4-one is Cc1ccc2oc(-c3ccccc3)c(I)c(=O)c2c1.
What is the InChIKey of 3-iodo-6-methyl-2-phenylchromen-4-one?
The InChIKey is CRQGTGJBGHTEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11IO2/c1-10-7-8-13-12(9-10)15(18)14(17)16(19-13)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 3-iodo-6-methyl-2-phenylchromen-4-one?
3-iodo-6-methyl-2-phenylchromen-4-one has a molecular weight of 362.17 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-6-methyl-2-phenylchromen-4-one is sourced from PubChem (CID 164665609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).