(2E)-2-[(3-fluorophenyl)methylidene]-5-hydroxy-3H-inden-1-one

C16H11FO2 — CID 134149885

IUPAC(2E)-2-[(3-fluorophenyl)methylidene]-5-hydroxy-3H-inden-1-one
SMILESO=C1/C(=C/c2cccc(F)c2)Cc2cc(O)ccc21
InChIInChI=1S/C16H11FO2/c17-13-3-1-2-10(7-13)6-12-8-11-9-14(18)4-5-15(11)16(12)19/h1-7,9,18H,8H2/b12-6+
InChIKeySYWHNFVNAFNPIG-WUXMJOGZSA-N
MW254.26 g/mol
LogP3.35
Rot. Bonds1

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

(2E)-2-[(3-fluorophenyl)methylidene]-5-hydroxy-3H-inden-1-one (PubChem CID 134149885) has the molecular formula C16H11FO2 and a molecular weight of 254.26 g/mol. Its IUPAC name is (2E)-2-[(3-fluorophenyl)methylidene]-5-hydroxy-3H-inden-1-one.

Molecular Properties

Compound Name(2E)-2-[(3-fluorophenyl)methylidene]-5-hydroxy-3H-inden-1-one
PubChem CID134149885
Molecular FormulaC16H11FO2
Molecular Weight254.26 g/mol
Exact Mass254.07
IUPAC Name(2E)-2-[(3-fluorophenyl)methylidene]-5-hydroxy-3H-inden-1-one
SMILESO=C1/C(=C/c2cccc(F)c2)Cc2cc(O)ccc21
InChIInChI=1S/C16H11FO2/c17-13-3-1-2-10(7-13)6-12-8-11-9-14(18)4-5-15(11)16(12)19/h1-7,9,18H,8H2/b12-6+
InChIKeySYWHNFVNAFNPIG-WUXMJOGZSA-N
XLogP3.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.35
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-fluorophenyl)methylidene]-5-hydroxy-3H-inden-1-one?
The IUPAC name of (2E)-2-[(3-fluorophenyl)methylidene]-5-hydroxy-3H-inden-1-one (CID 134149885) is (2E)-2-[(3-fluorophenyl)methylidene]-5-hydroxy-3H-inden-1-one.
What is the SMILES notation for (2E)-2-[(3-fluorophenyl)methylidene]-5-hydroxy-3H-inden-1-one?
The canonical SMILES for (2E)-2-[(3-fluorophenyl)methylidene]-5-hydroxy-3H-inden-1-one is O=C1/C(=C/c2cccc(F)c2)Cc2cc(O)ccc21.
What is the InChIKey of (2E)-2-[(3-fluorophenyl)methylidene]-5-hydroxy-3H-inden-1-one?
The InChIKey is SYWHNFVNAFNPIG-WUXMJOGZSA-N. The full InChI is InChI=1S/C16H11FO2/c17-13-3-1-2-10(7-13)6-12-8-11-9-14(18)4-5-15(11)16(12)19/h1-7,9,18H,8H2/b12-6+.
What are the key properties of (2E)-2-[(3-fluorophenyl)methylidene]-5-hydroxy-3H-inden-1-one?
(2E)-2-[(3-fluorophenyl)methylidene]-5-hydroxy-3H-inden-1-one has a molecular weight of 254.26 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(3-fluorophenyl)methylidene]-5-hydroxy-3H-inden-1-one is sourced from PubChem (CID 134149885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).