2-[4-(dimethylamino)phenyl]-6-iodochromen-4-one

C17H14INO2 — CID 11574659

IUPAC2-[4-(dimethylamino)phenyl]-6-iodochromen-4-one
SMILESCN(C)c1ccc(-c2cc(=O)c3cc(I)ccc3o2)cc1
InChIInChI=1S/C17H14INO2/c1-19(2)13-6-3-11(4-7-13)17-10-15(20)14-9-12(18)5-8-16(14)21-17/h3-10H,1-2H3
InChIKeyMVKVWWKDDYBNOJ-UHFFFAOYSA-N
MW391.21 g/mol
LogP4.13
Rot. Bonds2

About 2-[4-(dimethylamino)phenyl]-6-iodochromen-4-one

2-[4-(dimethylamino)phenyl]-6-iodochromen-4-one (PubChem CID 11574659) has the molecular formula C17H14INO2 and a molecular weight of 391.21 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-6-iodochromen-4-one.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-6-iodochromen-4-one
PubChem CID11574659
Molecular FormulaC17H14INO2
Molecular Weight391.21 g/mol
Exact Mass391.01
IUPAC Name2-[4-(dimethylamino)phenyl]-6-iodochromen-4-one
SMILESCN(C)c1ccc(-c2cc(=O)c3cc(I)ccc3o2)cc1
InChIInChI=1S/C17H14INO2/c1-19(2)13-6-3-11(4-7-13)17-10-15(20)14-9-12(18)5-8-16(14)21-17/h3-10H,1-2H3
InChIKeyMVKVWWKDDYBNOJ-UHFFFAOYSA-N
XLogP4.13
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.21
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-6-iodochromen-4-one?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-6-iodochromen-4-one (CID 11574659) is 2-[4-(dimethylamino)phenyl]-6-iodochromen-4-one.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-6-iodochromen-4-one?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-6-iodochromen-4-one is CN(C)c1ccc(-c2cc(=O)c3cc(I)ccc3o2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-6-iodochromen-4-one?
The InChIKey is MVKVWWKDDYBNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14INO2/c1-19(2)13-6-3-11(4-7-13)17-10-15(20)14-9-12(18)5-8-16(14)21-17/h3-10H,1-2H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-6-iodochromen-4-one?
2-[4-(dimethylamino)phenyl]-6-iodochromen-4-one has a molecular weight of 391.21 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-6-iodochromen-4-one is sourced from PubChem (CID 11574659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).