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

C17H11FO3 — CID 7316932

IUPAC(3Z)-5-(4-fluorophenyl)-3-[(3-hydroxyphenyl)methylidene]furan-2-one
SMILESO=C1OC(c2ccc(F)cc2)=C/C1=C/c1cccc(O)c1
InChIInChI=1S/C17H11FO3/c18-14-6-4-12(5-7-14)16-10-13(17(20)21-16)8-11-2-1-3-15(19)9-11/h1-10,19H/b13-8-
InChIKeyLMRKBDUYPGFTCX-JYRVWZFOSA-N
MW282.27 g/mol
LogP3.51
Rot. Bonds2

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

(3Z)-5-(4-fluorophenyl)-3-[(3-hydroxyphenyl)methylidene]furan-2-one (PubChem CID 7316932) has the molecular formula C17H11FO3 and a molecular weight of 282.27 g/mol. Its IUPAC name is (3Z)-5-(4-fluorophenyl)-3-[(3-hydroxyphenyl)methylidene]furan-2-one.

Molecular Properties

Compound Name(3Z)-5-(4-fluorophenyl)-3-[(3-hydroxyphenyl)methylidene]furan-2-one
PubChem CID7316932
Molecular FormulaC17H11FO3
Molecular Weight282.27 g/mol
Exact Mass282.07
IUPAC Name(3Z)-5-(4-fluorophenyl)-3-[(3-hydroxyphenyl)methylidene]furan-2-one
SMILESO=C1OC(c2ccc(F)cc2)=C/C1=C/c1cccc(O)c1
InChIInChI=1S/C17H11FO3/c18-14-6-4-12(5-7-14)16-10-13(17(20)21-16)8-11-2-1-3-15(19)9-11/h1-10,19H/b13-8-
InChIKeyLMRKBDUYPGFTCX-JYRVWZFOSA-N
XLogP3.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.51
H-Bond Donors ≤ 51
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

(3E)-3-[(4-fluorophenyl)methylidene]-5-phenylfuran-2-one
CID 5394659
5-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methylidene]furan-2-one
CID 899734
5-(4-fluorophenyl)-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one
CID 5140371
(3E)-3-[(4-chloro-3-nitrophenyl)methylidene]-5-(4-fluorophenyl)furan-2-one
CID 2185184
(3E)-3-[(3-phenoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 15483513
[3-[(Z)-[5-(4-methylphenyl)-2-oxofuran-3-ylidene]methyl]phenyl] acetate
CID 2263953
(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-[(2-phenylmethoxyphenyl)methylidene]furan-2-one
CID 45375711
(3Z)-3-[[4-[(Z)-(2-oxo-5-phenylfuran-3-ylidene)methyl]phenyl]methylidene]-5-phenylfuran-2-one
CID 11984182
5-(4-methylphenyl)-3-[(3-nitrophenyl)methylidene]furan-2-one
CID 867798
5-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]furan-2-one
CID 3120316

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-(4-fluorophenyl)-3-[(3-hydroxyphenyl)methylidene]furan-2-one?
The IUPAC name of (3Z)-5-(4-fluorophenyl)-3-[(3-hydroxyphenyl)methylidene]furan-2-one (CID 7316932) is (3Z)-5-(4-fluorophenyl)-3-[(3-hydroxyphenyl)methylidene]furan-2-one.
What is the SMILES notation for (3Z)-5-(4-fluorophenyl)-3-[(3-hydroxyphenyl)methylidene]furan-2-one?
The canonical SMILES for (3Z)-5-(4-fluorophenyl)-3-[(3-hydroxyphenyl)methylidene]furan-2-one is O=C1OC(c2ccc(F)cc2)=C/C1=C/c1cccc(O)c1.
What is the InChIKey of (3Z)-5-(4-fluorophenyl)-3-[(3-hydroxyphenyl)methylidene]furan-2-one?
The InChIKey is LMRKBDUYPGFTCX-JYRVWZFOSA-N. The full InChI is InChI=1S/C17H11FO3/c18-14-6-4-12(5-7-14)16-10-13(17(20)21-16)8-11-2-1-3-15(19)9-11/h1-10,19H/b13-8-.
What are the key properties of (3Z)-5-(4-fluorophenyl)-3-[(3-hydroxyphenyl)methylidene]furan-2-one?
(3Z)-5-(4-fluorophenyl)-3-[(3-hydroxyphenyl)methylidene]furan-2-one has a molecular weight of 282.27 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-(4-fluorophenyl)-3-[(3-hydroxyphenyl)methylidene]furan-2-one is sourced from PubChem (CID 7316932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).