(2E)-2-[(3,4-dichlorophenyl)methylidene]-5-hydroxy-3H-inden-1-one

C16H10Cl2O2 — CID 134140944

IUPAC(2E)-2-[(3,4-dichlorophenyl)methylidene]-5-hydroxy-3H-inden-1-one
SMILESO=C1/C(=C/c2ccc(Cl)c(Cl)c2)Cc2cc(O)ccc21
InChIInChI=1S/C16H10Cl2O2/c17-14-4-1-9(6-15(14)18)5-11-7-10-8-12(19)2-3-13(10)16(11)20/h1-6,8,19H,7H2/b11-5+
InChIKeyKAKGHBSBMFOMRF-VZUCSPMQSA-N
MW305.16 g/mol
LogP4.52
Rot. Bonds1

About (2E)-2-[(3,4-dichlorophenyl)methylidene]-5-hydroxy-3H-inden-1-one

(2E)-2-[(3,4-dichlorophenyl)methylidene]-5-hydroxy-3H-inden-1-one (PubChem CID 134140944) has the molecular formula C16H10Cl2O2 and a molecular weight of 305.16 g/mol. Its IUPAC name is (2E)-2-[(3,4-dichlorophenyl)methylidene]-5-hydroxy-3H-inden-1-one.

Molecular Properties

Compound Name(2E)-2-[(3,4-dichlorophenyl)methylidene]-5-hydroxy-3H-inden-1-one
PubChem CID134140944
Molecular FormulaC16H10Cl2O2
Molecular Weight305.16 g/mol
Exact Mass304.01
IUPAC Name(2E)-2-[(3,4-dichlorophenyl)methylidene]-5-hydroxy-3H-inden-1-one
SMILESO=C1/C(=C/c2ccc(Cl)c(Cl)c2)Cc2cc(O)ccc21
InChIInChI=1S/C16H10Cl2O2/c17-14-4-1-9(6-15(14)18)5-11-7-10-8-12(19)2-3-13(10)16(11)20/h1-6,8,19H,7H2/b11-5+
InChIKeyKAKGHBSBMFOMRF-VZUCSPMQSA-N
XLogP4.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(3,4-dichlorophenyl)methylidene]-5-hydroxy-3H-inden-1-one?
The IUPAC name of (2E)-2-[(3,4-dichlorophenyl)methylidene]-5-hydroxy-3H-inden-1-one (CID 134140944) is (2E)-2-[(3,4-dichlorophenyl)methylidene]-5-hydroxy-3H-inden-1-one.
What is the SMILES notation for (2E)-2-[(3,4-dichlorophenyl)methylidene]-5-hydroxy-3H-inden-1-one?
The canonical SMILES for (2E)-2-[(3,4-dichlorophenyl)methylidene]-5-hydroxy-3H-inden-1-one is O=C1/C(=C/c2ccc(Cl)c(Cl)c2)Cc2cc(O)ccc21.
What is the InChIKey of (2E)-2-[(3,4-dichlorophenyl)methylidene]-5-hydroxy-3H-inden-1-one?
The InChIKey is KAKGHBSBMFOMRF-VZUCSPMQSA-N. The full InChI is InChI=1S/C16H10Cl2O2/c17-14-4-1-9(6-15(14)18)5-11-7-10-8-12(19)2-3-13(10)16(11)20/h1-6,8,19H,7H2/b11-5+.
What are the key properties of (2E)-2-[(3,4-dichlorophenyl)methylidene]-5-hydroxy-3H-inden-1-one?
(2E)-2-[(3,4-dichlorophenyl)methylidene]-5-hydroxy-3H-inden-1-one has a molecular weight of 305.16 g/mol, XLogP of 4.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(3,4-dichlorophenyl)methylidene]-5-hydroxy-3H-inden-1-one is sourced from PubChem (CID 134140944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).