(3Z)-5-(4-fluorophenyl)-3-[(2-phenylmethoxyphenyl)methylidene]furan-2-one

C24H17FO3 — CID 45375711

IUPAC(3Z)-5-(4-fluorophenyl)-3-[(2-phenylmethoxyphenyl)methylidene]furan-2-one
SMILESO=C1OC(c2ccc(F)cc2)=C/C1=C/c1ccccc1OCc1ccccc1
InChIInChI=1S/C24H17FO3/c25-21-12-10-18(11-13-21)23-15-20(24(26)28-23)14-19-8-4-5-9-22(19)27-16-17-6-2-1-3-7-17/h1-15H,16H2/b20-14-
InChIKeyLIOYOPUNOJNDAS-ZHZULCJRSA-N
MW372.40 g/mol
LogP5.39
Rot. Bonds5

About (3Z)-5-(4-fluorophenyl)-3-[(2-phenylmethoxyphenyl)methylidene]furan-2-one

(3Z)-5-(4-fluorophenyl)-3-[(2-phenylmethoxyphenyl)methylidene]furan-2-one (PubChem CID 45375711) has the molecular formula C24H17FO3 and a molecular weight of 372.40 g/mol. Its IUPAC name is (3Z)-5-(4-fluorophenyl)-3-[(2-phenylmethoxyphenyl)methylidene]furan-2-one.

Molecular Properties

Compound Name(3Z)-5-(4-fluorophenyl)-3-[(2-phenylmethoxyphenyl)methylidene]furan-2-one
PubChem CID45375711
Molecular FormulaC24H17FO3
Molecular Weight372.40 g/mol
Exact Mass372.12
IUPAC Name(3Z)-5-(4-fluorophenyl)-3-[(2-phenylmethoxyphenyl)methylidene]furan-2-one
SMILESO=C1OC(c2ccc(F)cc2)=C/C1=C/c1ccccc1OCc1ccccc1
InChIInChI=1S/C24H17FO3/c25-21-12-10-18(11-13-21)23-15-20(24(26)28-23)14-19-8-4-5-9-22(19)27-16-17-6-2-1-3-7-17/h1-15H,16H2/b20-14-
InChIKeyLIOYOPUNOJNDAS-ZHZULCJRSA-N
XLogP5.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.40
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one
CID 5140371
(3E)-3-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-5-(4-phenylphenyl)furan-2-one
CID 126057645
5-phenyl-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one
CID 3664986
(3E)-3-[(4-fluorophenyl)methylidene]-5-phenylfuran-2-one
CID 5394659
(3E)-3-[(2,5-dimethoxyphenyl)methylidene]-5-(4-fluorophenyl)furan-2-one
CID 126057330
(3E)-3-[(2,4-dimethoxyphenyl)methylidene]-5-(4-fluorophenyl)furan-2-one
CID 126059452
(3Z)-5-(4-fluorophenyl)-3-[(3-hydroxyphenyl)methylidene]furan-2-one
CID 7316932
3-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
CID 3127564
(3E)-3-[(2-fluorophenyl)methylidene]-5-(4-methoxyphenyl)furan-2-one
CID 20831470
(4Z)-2-(4-fluorophenyl)-4-[[2-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19669822
(3E)-5-(3,4-dimethylphenyl)-3-[(2-phenylmethoxynaphthalen-1-yl)methylidene]furan-2-one
CID 126059912
3-[(2-bromophenyl)methylidene]-5-phenylfuran-2-one
CID 888387

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-(4-fluorophenyl)-3-[(2-phenylmethoxyphenyl)methylidene]furan-2-one?
The IUPAC name of (3Z)-5-(4-fluorophenyl)-3-[(2-phenylmethoxyphenyl)methylidene]furan-2-one (CID 45375711) is (3Z)-5-(4-fluorophenyl)-3-[(2-phenylmethoxyphenyl)methylidene]furan-2-one.
What is the SMILES notation for (3Z)-5-(4-fluorophenyl)-3-[(2-phenylmethoxyphenyl)methylidene]furan-2-one?
The canonical SMILES for (3Z)-5-(4-fluorophenyl)-3-[(2-phenylmethoxyphenyl)methylidene]furan-2-one is O=C1OC(c2ccc(F)cc2)=C/C1=C/c1ccccc1OCc1ccccc1.
What is the InChIKey of (3Z)-5-(4-fluorophenyl)-3-[(2-phenylmethoxyphenyl)methylidene]furan-2-one?
The InChIKey is LIOYOPUNOJNDAS-ZHZULCJRSA-N. The full InChI is InChI=1S/C24H17FO3/c25-21-12-10-18(11-13-21)23-15-20(24(26)28-23)14-19-8-4-5-9-22(19)27-16-17-6-2-1-3-7-17/h1-15H,16H2/b20-14-.
What are the key properties of (3Z)-5-(4-fluorophenyl)-3-[(2-phenylmethoxyphenyl)methylidene]furan-2-one?
(3Z)-5-(4-fluorophenyl)-3-[(2-phenylmethoxyphenyl)methylidene]furan-2-one has a molecular weight of 372.40 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-(4-fluorophenyl)-3-[(2-phenylmethoxyphenyl)methylidene]furan-2-one is sourced from PubChem (CID 45375711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).