2-[(2,4-dichlorophenyl)methylidene]-3H-inden-1-one

C16H10Cl2O — CID 2732877

IUPAC2-[(2,4-dichlorophenyl)methylidene]-3H-inden-1-one
SMILESO=C1C(=Cc2ccc(Cl)cc2Cl)Cc2ccccc21
InChIInChI=1S/C16H10Cl2O/c17-13-6-5-11(15(18)9-13)8-12-7-10-3-1-2-4-14(10)16(12)19/h1-6,8-9H,7H2
InChIKeyKYTRQFXGXXRFBX-UHFFFAOYSA-N
MW289.16 g/mol
LogP4.82
Rot. Bonds1

About 2-[(2,4-dichlorophenyl)methylidene]-3H-inden-1-one

2-[(2,4-dichlorophenyl)methylidene]-3H-inden-1-one (PubChem CID 2732877) has the molecular formula C16H10Cl2O and a molecular weight of 289.16 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methylidene]-3H-inden-1-one.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methylidene]-3H-inden-1-one
PubChem CID2732877
Molecular FormulaC16H10Cl2O
Molecular Weight289.16 g/mol
Exact Mass288.01
IUPAC Name2-[(2,4-dichlorophenyl)methylidene]-3H-inden-1-one
SMILESO=C1C(=Cc2ccc(Cl)cc2Cl)Cc2ccccc21
InChIInChI=1S/C16H10Cl2O/c17-13-6-5-11(15(18)9-13)8-12-7-10-3-1-2-4-14(10)16(12)19/h1-6,8-9H,7H2
InChIKeyKYTRQFXGXXRFBX-UHFFFAOYSA-N
XLogP4.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 54.82
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 2-[(2,4-dichlorophenyl)methylidene]-3H-inden-1-one?
The IUPAC name of 2-[(2,4-dichlorophenyl)methylidene]-3H-inden-1-one (CID 2732877) is 2-[(2,4-dichlorophenyl)methylidene]-3H-inden-1-one.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methylidene]-3H-inden-1-one?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methylidene]-3H-inden-1-one is O=C1C(=Cc2ccc(Cl)cc2Cl)Cc2ccccc21.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methylidene]-3H-inden-1-one?
The InChIKey is KYTRQFXGXXRFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2O/c17-13-6-5-11(15(18)9-13)8-12-7-10-3-1-2-4-14(10)16(12)19/h1-6,8-9H,7H2.
What are the key properties of 2-[(2,4-dichlorophenyl)methylidene]-3H-inden-1-one?
2-[(2,4-dichlorophenyl)methylidene]-3H-inden-1-one has a molecular weight of 289.16 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methylidene]-3H-inden-1-one is sourced from PubChem (CID 2732877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).