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

C18H13FO3 — CID 134846246

IUPAC(5Z)-3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]furan-2-one
SMILESCOc1ccc(/C=C2/C=C(c3ccc(F)cc3)C(=O)O2)cc1
InChIInChI=1S/C18H13FO3/c1-21-15-8-2-12(3-9-15)10-16-11-17(18(20)22-16)13-4-6-14(19)7-5-13/h2-11H,1H3/b16-10-
InChIKeyVEUNUPHFGXHRQA-YBEGLDIGSA-N
MW296.30 g/mol
LogP3.82
Rot. Bonds3

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

(5Z)-3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]furan-2-one (PubChem CID 134846246) has the molecular formula C18H13FO3 and a molecular weight of 296.30 g/mol. Its IUPAC name is (5Z)-3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]furan-2-one.

Molecular Properties

Compound Name(5Z)-3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]furan-2-one
PubChem CID134846246
Molecular FormulaC18H13FO3
Molecular Weight296.30 g/mol
Exact Mass296.08
IUPAC Name(5Z)-3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]furan-2-one
SMILESCOc1ccc(/C=C2/C=C(c3ccc(F)cc3)C(=O)O2)cc1
InChIInChI=1S/C18H13FO3/c1-21-15-8-2-12(3-9-15)10-16-11-17(18(20)22-16)13-4-6-14(19)7-5-13/h2-11H,1H3/b16-10-
InChIKeyVEUNUPHFGXHRQA-YBEGLDIGSA-N
XLogP3.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5Z)-3-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]furan-2-one
CID 132539373
(5Z)-4-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]furan-2-one
CID 11587605
5-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]furan-2-one
CID 3120316
(5Z)-5-[(4-fluorophenyl)methylidene]-3-(3-methoxyphenyl)-2-(4-methoxyphenyl)imidazol-4-one
CID 156601529
(4Z)-2-(3,5-dimethoxyphenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one
CID 9313429
(5E)-5-benzylidene-3-(2,4,6-trifluorophenyl)furan-2-one
CID 90368733
5-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)methylidene]furan-2-one
CID 899734
(5Z)-3-bromo-5-[(4-methylphenyl)methylidene]furan-2-one
CID 15396149
(5Z)-3-[(4-bromophenyl)methyl]-5-[(4-fluorophenyl)methylidene]furan-2-one
CID 23651032
2-(4-fluorophenyl)-6-(4-methoxyphenyl)pyridine-4-carbaldehyde
CID 131955075
5-benzylidene-3-(4-fluorophenyl)-2-(4-methoxyphenyl)imidazol-4-one
CID 71950639
fluorobenzene;4-methoxybenzaldehyde
CID 175119443

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]furan-2-one?
The IUPAC name of (5Z)-3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]furan-2-one (CID 134846246) is (5Z)-3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]furan-2-one.
What is the SMILES notation for (5Z)-3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]furan-2-one?
The canonical SMILES for (5Z)-3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]furan-2-one is COc1ccc(/C=C2/C=C(c3ccc(F)cc3)C(=O)O2)cc1.
What is the InChIKey of (5Z)-3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]furan-2-one?
The InChIKey is VEUNUPHFGXHRQA-YBEGLDIGSA-N. The full InChI is InChI=1S/C18H13FO3/c1-21-15-8-2-12(3-9-15)10-16-11-17(18(20)22-16)13-4-6-14(19)7-5-13/h2-11H,1H3/b16-10-.
What are the key properties of (5Z)-3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]furan-2-one?
(5Z)-3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]furan-2-one has a molecular weight of 296.30 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methylidene]furan-2-one is sourced from PubChem (CID 134846246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).