(3E)-3-[(4-fluorophenyl)methylidene]-5-phenyloxolan-2-one

C17H13FO2 — CID 10869267

IUPAC(3E)-3-[(4-fluorophenyl)methylidene]-5-phenyloxolan-2-one
SMILESO=C1OC(c2ccccc2)C/C1=C\c1ccc(F)cc1
InChIInChI=1S/C17H13FO2/c18-15-8-6-12(7-9-15)10-14-11-16(20-17(14)19)13-4-2-1-3-5-13/h1-10,16H,11H2/b14-10+
InChIKeyJXWVQDCWTOAWSP-GXDHUFHOSA-N
MW268.29 g/mol
LogP3.90
Rot. Bonds2

About (3E)-3-[(4-fluorophenyl)methylidene]-5-phenyloxolan-2-one

(3E)-3-[(4-fluorophenyl)methylidene]-5-phenyloxolan-2-one (PubChem CID 10869267) has the molecular formula C17H13FO2 and a molecular weight of 268.29 g/mol. Its IUPAC name is (3E)-3-[(4-fluorophenyl)methylidene]-5-phenyloxolan-2-one.

Molecular Properties

Compound Name(3E)-3-[(4-fluorophenyl)methylidene]-5-phenyloxolan-2-one
PubChem CID10869267
Molecular FormulaC17H13FO2
Molecular Weight268.29 g/mol
Exact Mass268.09
IUPAC Name(3E)-3-[(4-fluorophenyl)methylidene]-5-phenyloxolan-2-one
SMILESO=C1OC(c2ccccc2)C/C1=C\c1ccc(F)cc1
InChIInChI=1S/C17H13FO2/c18-15-8-6-12(7-9-15)10-14-11-16(20-17(14)19)13-4-2-1-3-5-13/h1-10,16H,11H2/b14-10+
InChIKeyJXWVQDCWTOAWSP-GXDHUFHOSA-N
XLogP3.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-[(4-fluorophenyl)methylidene]-6-methyloxan-2-one
CID 132533075
(5S)-5-(3,4-dihydroxyphenyl)-3-[(3,4-dihydroxyphenyl)methylidene]oxolan-2-one
CID 162932779
5-phenyloxolane-2,3-dione
CID 14450727
2,6-bis[(4-fluorophenyl)methylidene]-4-methylcyclohexan-1-one
CID 3564829
(3E)-3-[(4-fluorophenyl)methylidene]oxolan-2-one
CID 101127578
3-[(4-fluorophenyl)methylidene]-2-phenylchromen-4-one
CID 2802336
6,7-difluoro-3-phenyl-3,4-dihydroisochromen-1-one
CID 114517364
(3E)-3-benzylidene-5-(2-methylprop-1-enyl)oxolan-2-one
CID 139255404
3-[(4-fluorophenyl)methylidene]chromen-4-one
CID 901865
(2E,7E)-2,7-bis[(4-fluorophenyl)methylidene]cycloheptan-1-one
CID 6308455
N-(4-fluorophenyl)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 4913378
4-chloro-2-[(4-fluorophenyl)methylidene]cyclohexan-1-one
CID 68642839

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(4-fluorophenyl)methylidene]-5-phenyloxolan-2-one?
The IUPAC name of (3E)-3-[(4-fluorophenyl)methylidene]-5-phenyloxolan-2-one (CID 10869267) is (3E)-3-[(4-fluorophenyl)methylidene]-5-phenyloxolan-2-one.
What is the SMILES notation for (3E)-3-[(4-fluorophenyl)methylidene]-5-phenyloxolan-2-one?
The canonical SMILES for (3E)-3-[(4-fluorophenyl)methylidene]-5-phenyloxolan-2-one is O=C1OC(c2ccccc2)C/C1=C\c1ccc(F)cc1.
What is the InChIKey of (3E)-3-[(4-fluorophenyl)methylidene]-5-phenyloxolan-2-one?
The InChIKey is JXWVQDCWTOAWSP-GXDHUFHOSA-N. The full InChI is InChI=1S/C17H13FO2/c18-15-8-6-12(7-9-15)10-14-11-16(20-17(14)19)13-4-2-1-3-5-13/h1-10,16H,11H2/b14-10+.
What are the key properties of (3E)-3-[(4-fluorophenyl)methylidene]-5-phenyloxolan-2-one?
(3E)-3-[(4-fluorophenyl)methylidene]-5-phenyloxolan-2-one has a molecular weight of 268.29 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(4-fluorophenyl)methylidene]-5-phenyloxolan-2-one is sourced from PubChem (CID 10869267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).