6-hydroxy-3-[(4-iodophenyl)methylidene]-2-(4-methoxyphenyl)chromen-4-one

C23H17IO4 — CID 54028783

IUPAC6-hydroxy-3-[(4-iodophenyl)methylidene]-2-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(C2Oc3ccc(O)cc3C(=O)C2=Cc2ccc(I)cc2)cc1
InChIInChI=1S/C23H17IO4/c1-27-18-9-4-15(5-10-18)23-20(12-14-2-6-16(24)7-3-14)22(26)19-13-17(25)8-11-21(19)28-23/h2-13,23,25H,1H3
InChIKeyLECCBJGNSWHTLZ-UHFFFAOYSA-N
MW484.29 g/mol
LogP5.41
Rot. Bonds3

About 6-hydroxy-3-[(4-iodophenyl)methylidene]-2-(4-methoxyphenyl)chromen-4-one

6-hydroxy-3-[(4-iodophenyl)methylidene]-2-(4-methoxyphenyl)chromen-4-one (PubChem CID 54028783) has the molecular formula C23H17IO4 and a molecular weight of 484.29 g/mol. Its IUPAC name is 6-hydroxy-3-[(4-iodophenyl)methylidene]-2-(4-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name6-hydroxy-3-[(4-iodophenyl)methylidene]-2-(4-methoxyphenyl)chromen-4-one
PubChem CID54028783
Molecular FormulaC23H17IO4
Molecular Weight484.29 g/mol
Exact Mass484.02
IUPAC Name6-hydroxy-3-[(4-iodophenyl)methylidene]-2-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(C2Oc3ccc(O)cc3C(=O)C2=Cc2ccc(I)cc2)cc1
InChIInChI=1S/C23H17IO4/c1-27-18-9-4-15(5-10-18)23-20(12-14-2-6-16(24)7-3-14)22(26)19-13-17(25)8-11-21(19)28-23/h2-13,23,25H,1H3
InChIKeyLECCBJGNSWHTLZ-UHFFFAOYSA-N
XLogP5.41
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.29
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-hydroxy-3-[(4-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)chromen-4-one
CID 54273981
6-hydroxy-3-[(3-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)chromen-4-one
CID 54469288
N-[3-[6-hydroxy-3-[(4-methoxyphenyl)methylidene]-4-oxochromen-2-yl]phenyl]acetamide
CID 54417166
(3Z)-3-benzylidene-6-hydroxy-2-phenylchromen-4-one
CID 14068741
(3E)-2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]-7-methylchromen-4-one
CID 135053019
(3Z)-7-hydroxy-3-[(4-methoxyphenyl)methylidene]-2-methylchromen-4-one
CID 134113942
(3E)-3-benzylidene-5-hydroxy-2-(4-methoxyphenyl)chromen-4-one
CID 70356611
(3E)-2-(4-bromophenyl)-3-[(4-bromophenyl)methylidene]-6-methylchromen-4-one
CID 175408655
3-[(3-methoxyphenyl)methylidene]-2-phenylchromen-4-one
CID 2728586
[2-(3,4-dichlorophenyl)-3-[(3,4-dichlorophenyl)methylidene]-4-oxochromen-6-yl] dihydrogen phosphate
CID 70356527
(2R,3Z)-2-(4-bromophenyl)-3-[(4-bromophenyl)methylidene]chromen-4-one
CID 42066606
6-hydroxy-2-[(4-methoxyphenyl)methylidene]-3H-inden-1-one
CID 174901660

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-[(4-iodophenyl)methylidene]-2-(4-methoxyphenyl)chromen-4-one?
The IUPAC name of 6-hydroxy-3-[(4-iodophenyl)methylidene]-2-(4-methoxyphenyl)chromen-4-one (CID 54028783) is 6-hydroxy-3-[(4-iodophenyl)methylidene]-2-(4-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 6-hydroxy-3-[(4-iodophenyl)methylidene]-2-(4-methoxyphenyl)chromen-4-one?
The canonical SMILES for 6-hydroxy-3-[(4-iodophenyl)methylidene]-2-(4-methoxyphenyl)chromen-4-one is COc1ccc(C2Oc3ccc(O)cc3C(=O)C2=Cc2ccc(I)cc2)cc1.
What is the InChIKey of 6-hydroxy-3-[(4-iodophenyl)methylidene]-2-(4-methoxyphenyl)chromen-4-one?
The InChIKey is LECCBJGNSWHTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17IO4/c1-27-18-9-4-15(5-10-18)23-20(12-14-2-6-16(24)7-3-14)22(26)19-13-17(25)8-11-21(19)28-23/h2-13,23,25H,1H3.
What are the key properties of 6-hydroxy-3-[(4-iodophenyl)methylidene]-2-(4-methoxyphenyl)chromen-4-one?
6-hydroxy-3-[(4-iodophenyl)methylidene]-2-(4-methoxyphenyl)chromen-4-one has a molecular weight of 484.29 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-[(4-iodophenyl)methylidene]-2-(4-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 54028783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).