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

C23H18O5 — CID 54469288

IUPAC6-hydroxy-3-[(3-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(C2Oc3ccc(O)cc3C(=O)C2=Cc2cccc(O)c2)cc1
InChIInChI=1S/C23H18O5/c1-27-18-8-5-15(6-9-18)23-20(12-14-3-2-4-16(24)11-14)22(26)19-13-17(25)7-10-21(19)28-23/h2-13,23-25H,1H3
InChIKeyXHDRHLYMRKJSGT-UHFFFAOYSA-N
MW374.39 g/mol
LogP4.51
Rot. Bonds3

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

6-hydroxy-3-[(3-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)chromen-4-one (PubChem CID 54469288) has the molecular formula C23H18O5 and a molecular weight of 374.39 g/mol. Its IUPAC name is 6-hydroxy-3-[(3-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name6-hydroxy-3-[(3-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)chromen-4-one
PubChem CID54469288
Molecular FormulaC23H18O5
Molecular Weight374.39 g/mol
Exact Mass374.12
IUPAC Name6-hydroxy-3-[(3-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(C2Oc3ccc(O)cc3C(=O)C2=Cc2cccc(O)c2)cc1
InChIInChI=1S/C23H18O5/c1-27-18-8-5-15(6-9-18)23-20(12-14-3-2-4-16(24)11-14)22(26)19-13-17(25)7-10-21(19)28-23/h2-13,23-25H,1H3
InChIKeyXHDRHLYMRKJSGT-UHFFFAOYSA-N
XLogP4.51
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-[(3-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)chromen-4-one?
The IUPAC name of 6-hydroxy-3-[(3-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)chromen-4-one (CID 54469288) is 6-hydroxy-3-[(3-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 6-hydroxy-3-[(3-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)chromen-4-one?
The canonical SMILES for 6-hydroxy-3-[(3-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)chromen-4-one is COc1ccc(C2Oc3ccc(O)cc3C(=O)C2=Cc2cccc(O)c2)cc1.
What is the InChIKey of 6-hydroxy-3-[(3-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)chromen-4-one?
The InChIKey is XHDRHLYMRKJSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O5/c1-27-18-8-5-15(6-9-18)23-20(12-14-3-2-4-16(24)11-14)22(26)19-13-17(25)7-10-21(19)28-23/h2-13,23-25H,1H3.
What are the key properties of 6-hydroxy-3-[(3-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)chromen-4-one?
6-hydroxy-3-[(3-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)chromen-4-one has a molecular weight of 374.39 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-[(3-hydroxyphenyl)methylidene]-2-(4-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 54469288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).