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

C23H18O3 — CID 2728586

IUPAC3-[(3-methoxyphenyl)methylidene]-2-phenylchromen-4-one
SMILESCOc1cccc(C=C2C(=O)c3ccccc3OC2c2ccccc2)c1
InChIInChI=1S/C23H18O3/c1-25-18-11-7-8-16(14-18)15-20-22(24)19-12-5-6-13-21(19)26-23(20)17-9-3-2-4-10-17/h2-15,23H,1H3
InChIKeyNNXVIEWKGKMBNP-UHFFFAOYSA-N
MW342.39 g/mol
LogP5.10
Rot. Bonds3

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

3-[(3-methoxyphenyl)methylidene]-2-phenylchromen-4-one (PubChem CID 2728586) has the molecular formula C23H18O3 and a molecular weight of 342.39 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methylidene]-2-phenylchromen-4-one.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methylidene]-2-phenylchromen-4-one
PubChem CID2728586
Molecular FormulaC23H18O3
Molecular Weight342.39 g/mol
Exact Mass342.13
IUPAC Name3-[(3-methoxyphenyl)methylidene]-2-phenylchromen-4-one
SMILESCOc1cccc(C=C2C(=O)c3ccccc3OC2c2ccccc2)c1
InChIInChI=1S/C23H18O3/c1-25-18-11-7-8-16(14-18)15-20-22(24)19-12-5-6-13-21(19)26-23(20)17-9-3-2-4-10-17/h2-15,23H,1H3
InChIKeyNNXVIEWKGKMBNP-UHFFFAOYSA-N
XLogP5.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.39
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methoxyphenyl)methylidene]-2-phenylchromen-4-one?
The IUPAC name of 3-[(3-methoxyphenyl)methylidene]-2-phenylchromen-4-one (CID 2728586) is 3-[(3-methoxyphenyl)methylidene]-2-phenylchromen-4-one.
What is the SMILES notation for 3-[(3-methoxyphenyl)methylidene]-2-phenylchromen-4-one?
The canonical SMILES for 3-[(3-methoxyphenyl)methylidene]-2-phenylchromen-4-one is COc1cccc(C=C2C(=O)c3ccccc3OC2c2ccccc2)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methylidene]-2-phenylchromen-4-one?
The InChIKey is NNXVIEWKGKMBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O3/c1-25-18-11-7-8-16(14-18)15-20-22(24)19-12-5-6-13-21(19)26-23(20)17-9-3-2-4-10-17/h2-15,23H,1H3.
What are the key properties of 3-[(3-methoxyphenyl)methylidene]-2-phenylchromen-4-one?
3-[(3-methoxyphenyl)methylidene]-2-phenylchromen-4-one has a molecular weight of 342.39 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methylidene]-2-phenylchromen-4-one is sourced from PubChem (CID 2728586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).