(2E)-2-[(4-phenylphenyl)methylidene]-3H-inden-1-one

C22H16O — CID 6251160

IUPAC(2E)-2-[(4-phenylphenyl)methylidene]-3H-inden-1-one
SMILESO=C1/C(=C/c2ccc(-c3ccccc3)cc2)Cc2ccccc21
InChIInChI=1S/C22H16O/c23-22-20(15-19-8-4-5-9-21(19)22)14-16-10-12-18(13-11-16)17-6-2-1-3-7-17/h1-14H,15H2/b20-14+
InChIKeyLWLHCRXBDOHNMU-XSFVSMFZSA-N
MW296.37 g/mol
LogP5.18
Rot. Bonds2

About (2E)-2-[(4-phenylphenyl)methylidene]-3H-inden-1-one

(2E)-2-[(4-phenylphenyl)methylidene]-3H-inden-1-one (PubChem CID 6251160) has the molecular formula C22H16O and a molecular weight of 296.37 g/mol. Its IUPAC name is (2E)-2-[(4-phenylphenyl)methylidene]-3H-inden-1-one.

Molecular Properties

Compound Name(2E)-2-[(4-phenylphenyl)methylidene]-3H-inden-1-one
PubChem CID6251160
Molecular FormulaC22H16O
Molecular Weight296.37 g/mol
Exact Mass296.12
IUPAC Name(2E)-2-[(4-phenylphenyl)methylidene]-3H-inden-1-one
SMILESO=C1/C(=C/c2ccc(-c3ccccc3)cc2)Cc2ccccc21
InChIInChI=1S/C22H16O/c23-22-20(15-19-8-4-5-9-21(19)22)14-16-10-12-18(13-11-16)17-6-2-1-3-7-17/h1-14H,15H2/b20-14+
InChIKeyLWLHCRXBDOHNMU-XSFVSMFZSA-N
XLogP5.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.37
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2E)-2-[(4-phenylphenyl)methylidene]-3H-inden-1-one?
The IUPAC name of (2E)-2-[(4-phenylphenyl)methylidene]-3H-inden-1-one (CID 6251160) is (2E)-2-[(4-phenylphenyl)methylidene]-3H-inden-1-one.
What is the SMILES notation for (2E)-2-[(4-phenylphenyl)methylidene]-3H-inden-1-one?
The canonical SMILES for (2E)-2-[(4-phenylphenyl)methylidene]-3H-inden-1-one is O=C1/C(=C/c2ccc(-c3ccccc3)cc2)Cc2ccccc21.
What is the InChIKey of (2E)-2-[(4-phenylphenyl)methylidene]-3H-inden-1-one?
The InChIKey is LWLHCRXBDOHNMU-XSFVSMFZSA-N. The full InChI is InChI=1S/C22H16O/c23-22-20(15-19-8-4-5-9-21(19)22)14-16-10-12-18(13-11-16)17-6-2-1-3-7-17/h1-14H,15H2/b20-14+.
What are the key properties of (2E)-2-[(4-phenylphenyl)methylidene]-3H-inden-1-one?
(2E)-2-[(4-phenylphenyl)methylidene]-3H-inden-1-one has a molecular weight of 296.37 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(4-phenylphenyl)methylidene]-3H-inden-1-one is sourced from PubChem (CID 6251160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).