(6E)-6-[(3-fluorophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one

C18H15FO — CID 5469394

IUPAC(6E)-6-[(3-fluorophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one
SMILESO=C1/C(=C/c2cccc(F)c2)CCCc2ccccc21
InChIInChI=1S/C18H15FO/c19-16-9-3-5-13(12-16)11-15-8-4-7-14-6-1-2-10-17(14)18(15)20/h1-3,5-6,9-12H,4,7-8H2/b15-11+
InChIKeyRAZAJNVRLMAZGG-RVDMUPIBSA-N
MW266.31 g/mol
LogP4.43
Rot. Bonds1

About (6E)-6-[(3-fluorophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one

(6E)-6-[(3-fluorophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one (PubChem CID 5469394) has the molecular formula C18H15FO and a molecular weight of 266.31 g/mol. Its IUPAC name is (6E)-6-[(3-fluorophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one.

Molecular Properties

Compound Name(6E)-6-[(3-fluorophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one
PubChem CID5469394
Molecular FormulaC18H15FO
Molecular Weight266.31 g/mol
Exact Mass266.11
IUPAC Name(6E)-6-[(3-fluorophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one
SMILESO=C1/C(=C/c2cccc(F)c2)CCCc2ccccc21
InChIInChI=1S/C18H15FO/c19-16-9-3-5-13(12-16)11-15-8-4-7-14-6-1-2-10-17(14)18(15)20/h1-3,5-6,9-12H,4,7-8H2/b15-11+
InChIKeyRAZAJNVRLMAZGG-RVDMUPIBSA-N
XLogP4.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 54.43
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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Related Compounds

(6E)-6-[(4-fluorophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one
CID 5396603
(6Z)-6-[(3-methylphenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one
CID 92525608
(6E)-6-[[3-[hydroxy(oxido)amino]phenyl]methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one
CID 20832285
(2E)-2-[(3-fluorophenyl)methylidene]cycloheptan-1-one
CID 5469550
(2Z)-2-[(3-chloro-4-fluorophenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 67620772
benzaldehyde;(2E)-2-benzylidene-3,4-dihydronaphthalen-1-one;3,4-dihydro-2H-naphthalen-1-one
CID 158089765
(2E)-2-[(3-fluorophenyl)methylidene]-5-hydroxy-3H-inden-1-one
CID 134149885
(2E)-2-[(2,5-difluorophenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 47241323
(2E)-2-(naphthalen-2-ylmethylidene)-3,4-dihydronaphthalen-1-one
CID 5378199
(2E)-2-[(3,5-dibromophenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 163907659
(6E)-2,6-dibenzylidenecyclohexan-1-one
CID 1240877
3-[(3-fluorophenyl)methylidene]thian-4-one
CID 131874625

Frequently Asked Questions

What is the IUPAC name of (6E)-6-[(3-fluorophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one?
The IUPAC name of (6E)-6-[(3-fluorophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one (CID 5469394) is (6E)-6-[(3-fluorophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one.
What is the SMILES notation for (6E)-6-[(3-fluorophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one?
The canonical SMILES for (6E)-6-[(3-fluorophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one is O=C1/C(=C/c2cccc(F)c2)CCCc2ccccc21.
What is the InChIKey of (6E)-6-[(3-fluorophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one?
The InChIKey is RAZAJNVRLMAZGG-RVDMUPIBSA-N. The full InChI is InChI=1S/C18H15FO/c19-16-9-3-5-13(12-16)11-15-8-4-7-14-6-1-2-10-17(14)18(15)20/h1-3,5-6,9-12H,4,7-8H2/b15-11+.
What are the key properties of (6E)-6-[(3-fluorophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one?
(6E)-6-[(3-fluorophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one has a molecular weight of 266.31 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[(3-fluorophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one is sourced from PubChem (CID 5469394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).