3-[(3-chlorophenyl)methylidene]-2-phenylchromen-4-one

C22H15ClO2 — CID 2802334

IUPAC3-[(3-chlorophenyl)methylidene]-2-phenylchromen-4-one
SMILESO=C1C(=Cc2cccc(Cl)c2)C(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C22H15ClO2/c23-17-10-6-7-15(13-17)14-19-21(24)18-11-4-5-12-20(18)25-22(19)16-8-2-1-3-9-16/h1-14,22H
InChIKeyIPLMXVCATPYONM-UHFFFAOYSA-N
MW346.81 g/mol
LogP5.74
Rot. Bonds2

About 3-[(3-chlorophenyl)methylidene]-2-phenylchromen-4-one

3-[(3-chlorophenyl)methylidene]-2-phenylchromen-4-one (PubChem CID 2802334) has the molecular formula C22H15ClO2 and a molecular weight of 346.81 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methylidene]-2-phenylchromen-4-one.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methylidene]-2-phenylchromen-4-one
PubChem CID2802334
Molecular FormulaC22H15ClO2
Molecular Weight346.81 g/mol
Exact Mass346.08
IUPAC Name3-[(3-chlorophenyl)methylidene]-2-phenylchromen-4-one
SMILESO=C1C(=Cc2cccc(Cl)c2)C(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C22H15ClO2/c23-17-10-6-7-15(13-17)14-19-21(24)18-11-4-5-12-20(18)25-22(19)16-8-2-1-3-9-16/h1-14,22H
InChIKeyIPLMXVCATPYONM-UHFFFAOYSA-N
XLogP5.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.81
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-[(3-chlorophenyl)methylidene]-2-phenylchromen-4-one?
The IUPAC name of 3-[(3-chlorophenyl)methylidene]-2-phenylchromen-4-one (CID 2802334) is 3-[(3-chlorophenyl)methylidene]-2-phenylchromen-4-one.
What is the SMILES notation for 3-[(3-chlorophenyl)methylidene]-2-phenylchromen-4-one?
The canonical SMILES for 3-[(3-chlorophenyl)methylidene]-2-phenylchromen-4-one is O=C1C(=Cc2cccc(Cl)c2)C(c2ccccc2)Oc2ccccc21.
What is the InChIKey of 3-[(3-chlorophenyl)methylidene]-2-phenylchromen-4-one?
The InChIKey is IPLMXVCATPYONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClO2/c23-17-10-6-7-15(13-17)14-19-21(24)18-11-4-5-12-20(18)25-22(19)16-8-2-1-3-9-16/h1-14,22H.
What are the key properties of 3-[(3-chlorophenyl)methylidene]-2-phenylchromen-4-one?
3-[(3-chlorophenyl)methylidene]-2-phenylchromen-4-one has a molecular weight of 346.81 g/mol, XLogP of 5.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methylidene]-2-phenylchromen-4-one is sourced from PubChem (CID 2802334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).