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

C16H11ClO — CID 2305460

IUPAC(2E)-2-[(2-chlorophenyl)methylidene]-3H-inden-1-one
SMILESO=C1/C(=C/c2ccccc2Cl)Cc2ccccc21
InChIInChI=1S/C16H11ClO/c17-15-8-4-2-6-12(15)10-13-9-11-5-1-3-7-14(11)16(13)18/h1-8,10H,9H2/b13-10+
InChIKeyIDQSBDUGYFUQFD-JLHYYAGUSA-N
MW254.72 g/mol
LogP4.16
Rot. Bonds1

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

(2E)-2-[(2-chlorophenyl)methylidene]-3H-inden-1-one (PubChem CID 2305460) has the molecular formula C16H11ClO and a molecular weight of 254.72 g/mol. Its IUPAC name is (2E)-2-[(2-chlorophenyl)methylidene]-3H-inden-1-one.

Molecular Properties

Compound Name(2E)-2-[(2-chlorophenyl)methylidene]-3H-inden-1-one
PubChem CID2305460
Molecular FormulaC16H11ClO
Molecular Weight254.72 g/mol
Exact Mass254.05
IUPAC Name(2E)-2-[(2-chlorophenyl)methylidene]-3H-inden-1-one
SMILESO=C1/C(=C/c2ccccc2Cl)Cc2ccccc21
InChIInChI=1S/C16H11ClO/c17-15-8-4-2-6-12(15)10-13-9-11-5-1-3-7-14(11)16(13)18/h1-8,10H,9H2/b13-10+
InChIKeyIDQSBDUGYFUQFD-JLHYYAGUSA-N
XLogP4.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 54.16
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-[(2-chlorophenyl)methylidene]-3H-inden-1-one?
The IUPAC name of (2E)-2-[(2-chlorophenyl)methylidene]-3H-inden-1-one (CID 2305460) is (2E)-2-[(2-chlorophenyl)methylidene]-3H-inden-1-one.
What is the SMILES notation for (2E)-2-[(2-chlorophenyl)methylidene]-3H-inden-1-one?
The canonical SMILES for (2E)-2-[(2-chlorophenyl)methylidene]-3H-inden-1-one is O=C1/C(=C/c2ccccc2Cl)Cc2ccccc21.
What is the InChIKey of (2E)-2-[(2-chlorophenyl)methylidene]-3H-inden-1-one?
The InChIKey is IDQSBDUGYFUQFD-JLHYYAGUSA-N. The full InChI is InChI=1S/C16H11ClO/c17-15-8-4-2-6-12(15)10-13-9-11-5-1-3-7-14(11)16(13)18/h1-8,10H,9H2/b13-10+.
What are the key properties of (2E)-2-[(2-chlorophenyl)methylidene]-3H-inden-1-one?
(2E)-2-[(2-chlorophenyl)methylidene]-3H-inden-1-one has a molecular weight of 254.72 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2-chlorophenyl)methylidene]-3H-inden-1-one is sourced from PubChem (CID 2305460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).