(3E)-5-(2,4-dimethylphenyl)-3-[(4-hydroxyphenyl)methylidene]furan-2-one

C19H16O3 — CID 126066200

IUPAC(3E)-5-(2,4-dimethylphenyl)-3-[(4-hydroxyphenyl)methylidene]furan-2-one
SMILESCc1ccc(C2=C/C(=C\c3ccc(O)cc3)C(=O)O2)c(C)c1
InChIInChI=1S/C19H16O3/c1-12-3-8-17(13(2)9-12)18-11-15(19(21)22-18)10-14-4-6-16(20)7-5-14/h3-11,20H,1-2H3/b15-10+
InChIKeyXMRWSGREEHBBTP-XNTDXEJSSA-N
MW292.33 g/mol
LogP3.99
Rot. Bonds2

About (3E)-5-(2,4-dimethylphenyl)-3-[(4-hydroxyphenyl)methylidene]furan-2-one

(3E)-5-(2,4-dimethylphenyl)-3-[(4-hydroxyphenyl)methylidene]furan-2-one (PubChem CID 126066200) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is (3E)-5-(2,4-dimethylphenyl)-3-[(4-hydroxyphenyl)methylidene]furan-2-one.

Molecular Properties

Compound Name(3E)-5-(2,4-dimethylphenyl)-3-[(4-hydroxyphenyl)methylidene]furan-2-one
PubChem CID126066200
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Name(3E)-5-(2,4-dimethylphenyl)-3-[(4-hydroxyphenyl)methylidene]furan-2-one
SMILESCc1ccc(C2=C/C(=C\c3ccc(O)cc3)C(=O)O2)c(C)c1
InChIInChI=1S/C19H16O3/c1-12-3-8-17(13(2)9-12)18-11-15(19(21)22-18)10-14-4-6-16(20)7-5-14/h3-11,20H,1-2H3/b15-10+
InChIKeyXMRWSGREEHBBTP-XNTDXEJSSA-N
XLogP3.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.99
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

methyl 4-[[5-(2,4-dimethylphenyl)-2-oxofuran-3-ylidene]methyl]benzoate
CID 3252015
5-(2,4-dimethylphenyl)-3-[(4-nitrophenyl)methylidene]furan-2-one
CID 890303
(3E)-3-[(3-chlorophenyl)methylidene]-5-(2,4-dimethylphenyl)furan-2-one
CID 126058718
(3E)-5-(2,4-dimethylphenyl)-3-[(4-methyl-3-nitrophenyl)methylidene]furan-2-one
CID 2277449
3-[N-(2-cyanoethyl)-4-[(Z)-[5-(2,4-dimethylphenyl)-2-oxofuran-3-ylidene]methyl]anilino]propanenitrile
CID 6149702
(3Z)-3-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-(2-methoxy-4-methylphenyl)furan-2-one
CID 58237972
(3E)-3-[(2,5-dimethoxyphenyl)methylidene]-5-(2,4-dimethylphenyl)furan-2-one
CID 20831433
(3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-5-(2,5-dimethylphenyl)furan-2-one
CID 2190362
(3E)-5-(2,5-dimethylphenyl)-3-[(3-methoxyphenyl)methylidene]furan-2-one
CID 126060625
(3E)-3-[(2,3-dimethoxyphenyl)methylidene]-5-(2,5-dimethylphenyl)furan-2-one
CID 2188479
3-[(2,6-dichlorophenyl)methylidene]-5-(2,5-dimethylphenyl)furan-2-one
CID 3114220
3-benzylidene-5-(2,4-dimethoxyphenyl)furan-2-one
CID 867776

Frequently Asked Questions

What is the IUPAC name of (3E)-5-(2,4-dimethylphenyl)-3-[(4-hydroxyphenyl)methylidene]furan-2-one?
The IUPAC name of (3E)-5-(2,4-dimethylphenyl)-3-[(4-hydroxyphenyl)methylidene]furan-2-one (CID 126066200) is (3E)-5-(2,4-dimethylphenyl)-3-[(4-hydroxyphenyl)methylidene]furan-2-one.
What is the SMILES notation for (3E)-5-(2,4-dimethylphenyl)-3-[(4-hydroxyphenyl)methylidene]furan-2-one?
The canonical SMILES for (3E)-5-(2,4-dimethylphenyl)-3-[(4-hydroxyphenyl)methylidene]furan-2-one is Cc1ccc(C2=C/C(=C\c3ccc(O)cc3)C(=O)O2)c(C)c1.
What is the InChIKey of (3E)-5-(2,4-dimethylphenyl)-3-[(4-hydroxyphenyl)methylidene]furan-2-one?
The InChIKey is XMRWSGREEHBBTP-XNTDXEJSSA-N. The full InChI is InChI=1S/C19H16O3/c1-12-3-8-17(13(2)9-12)18-11-15(19(21)22-18)10-14-4-6-16(20)7-5-14/h3-11,20H,1-2H3/b15-10+.
What are the key properties of (3E)-5-(2,4-dimethylphenyl)-3-[(4-hydroxyphenyl)methylidene]furan-2-one?
(3E)-5-(2,4-dimethylphenyl)-3-[(4-hydroxyphenyl)methylidene]furan-2-one has a molecular weight of 292.33 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-(2,4-dimethylphenyl)-3-[(4-hydroxyphenyl)methylidene]furan-2-one is sourced from PubChem (CID 126066200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).