2-[(2-fluorophenyl)methylidene]-6-hydroxy-3H-inden-1-one

C16H11FO2 — CID 175148022

IUPAC2-[(2-fluorophenyl)methylidene]-6-hydroxy-3H-inden-1-one
SMILESO=C1C(=Cc2ccccc2F)Cc2ccc(O)cc21
InChIInChI=1S/C16H11FO2/c17-15-4-2-1-3-11(15)8-12-7-10-5-6-13(18)9-14(10)16(12)19/h1-6,8-9,18H,7H2
InChIKeyRTMQBZGPMKPVFA-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.35
Rot. Bonds1

About 2-[(2-fluorophenyl)methylidene]-6-hydroxy-3H-inden-1-one

2-[(2-fluorophenyl)methylidene]-6-hydroxy-3H-inden-1-one (PubChem CID 175148022) has the molecular formula C16H11FO2 and a molecular weight of 254.26 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylidene]-6-hydroxy-3H-inden-1-one.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylidene]-6-hydroxy-3H-inden-1-one
PubChem CID175148022
Molecular FormulaC16H11FO2
Molecular Weight254.26 g/mol
Exact Mass254.07
IUPAC Name2-[(2-fluorophenyl)methylidene]-6-hydroxy-3H-inden-1-one
SMILESO=C1C(=Cc2ccccc2F)Cc2ccc(O)cc21
InChIInChI=1S/C16H11FO2/c17-15-4-2-1-3-11(15)8-12-7-10-5-6-13(18)9-14(10)16(12)19/h1-6,8-9,18H,7H2
InChIKeyRTMQBZGPMKPVFA-UHFFFAOYSA-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 2-[(2-fluorophenyl)methylidene]-6-hydroxy-3H-inden-1-one?
The IUPAC name of 2-[(2-fluorophenyl)methylidene]-6-hydroxy-3H-inden-1-one (CID 175148022) is 2-[(2-fluorophenyl)methylidene]-6-hydroxy-3H-inden-1-one.
What is the SMILES notation for 2-[(2-fluorophenyl)methylidene]-6-hydroxy-3H-inden-1-one?
The canonical SMILES for 2-[(2-fluorophenyl)methylidene]-6-hydroxy-3H-inden-1-one is O=C1C(=Cc2ccccc2F)Cc2ccc(O)cc21.
What is the InChIKey of 2-[(2-fluorophenyl)methylidene]-6-hydroxy-3H-inden-1-one?
The InChIKey is RTMQBZGPMKPVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FO2/c17-15-4-2-1-3-11(15)8-12-7-10-5-6-13(18)9-14(10)16(12)19/h1-6,8-9,18H,7H2.
What are the key properties of 2-[(2-fluorophenyl)methylidene]-6-hydroxy-3H-inden-1-one?
2-[(2-fluorophenyl)methylidene]-6-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 2-[(2-fluorophenyl)methylidene]-6-hydroxy-3H-inden-1-one is sourced from PubChem (CID 175148022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).