3-[(4-phenoxyphenyl)methylidene]chromen-4-one

C22H16O3 — CID 4029259

IUPAC3-[(4-phenoxyphenyl)methylidene]chromen-4-one
SMILESO=C1C(=Cc2ccc(Oc3ccccc3)cc2)COc2ccccc21
InChIInChI=1S/C22H16O3/c23-22-17(15-24-21-9-5-4-8-20(21)22)14-16-10-12-19(13-11-16)25-18-6-2-1-3-7-18/h1-14H,15H2
InChIKeyDBKJYRCKPCREBC-UHFFFAOYSA-N
MW328.37 g/mol
LogP5.14
Rot. Bonds3

About 3-[(4-phenoxyphenyl)methylidene]chromen-4-one

3-[(4-phenoxyphenyl)methylidene]chromen-4-one (PubChem CID 4029259) has the molecular formula C22H16O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-[(4-phenoxyphenyl)methylidene]chromen-4-one.

Molecular Properties

Compound Name3-[(4-phenoxyphenyl)methylidene]chromen-4-one
PubChem CID4029259
Molecular FormulaC22H16O3
Molecular Weight328.37 g/mol
Exact Mass328.11
IUPAC Name3-[(4-phenoxyphenyl)methylidene]chromen-4-one
SMILESO=C1C(=Cc2ccc(Oc3ccccc3)cc2)COc2ccccc21
InChIInChI=1S/C22H16O3/c23-22-17(15-24-21-9-5-4-8-20(21)22)14-16-10-12-19(13-11-16)25-18-6-2-1-3-7-18/h1-14H,15H2
InChIKeyDBKJYRCKPCREBC-UHFFFAOYSA-N
XLogP5.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.37
LogP ≤ 55.14
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-[(4-phenoxyphenyl)methylidene]chromen-4-one?
The IUPAC name of 3-[(4-phenoxyphenyl)methylidene]chromen-4-one (CID 4029259) is 3-[(4-phenoxyphenyl)methylidene]chromen-4-one.
What is the SMILES notation for 3-[(4-phenoxyphenyl)methylidene]chromen-4-one?
The canonical SMILES for 3-[(4-phenoxyphenyl)methylidene]chromen-4-one is O=C1C(=Cc2ccc(Oc3ccccc3)cc2)COc2ccccc21.
What is the InChIKey of 3-[(4-phenoxyphenyl)methylidene]chromen-4-one?
The InChIKey is DBKJYRCKPCREBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O3/c23-22-17(15-24-21-9-5-4-8-20(21)22)14-16-10-12-19(13-11-16)25-18-6-2-1-3-7-18/h1-14H,15H2.
What are the key properties of 3-[(4-phenoxyphenyl)methylidene]chromen-4-one?
3-[(4-phenoxyphenyl)methylidene]chromen-4-one has a molecular weight of 328.37 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenoxyphenyl)methylidene]chromen-4-one is sourced from PubChem (CID 4029259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).