(3Z)-5-methyl-3-[[5-(4-methylphenyl)furan-2-yl]methylidene]furan-2-one

C17H14O3 — CID 689410

IUPAC(3Z)-5-methyl-3-[[5-(4-methylphenyl)furan-2-yl]methylidene]furan-2-one
SMILESCC1=C/C(=C/c2ccc(-c3ccc(C)cc3)o2)C(=O)O1
InChIInChI=1S/C17H14O3/c1-11-3-5-13(6-4-11)16-8-7-15(20-16)10-14-9-12(2)19-17(14)18/h3-10H,1-2H3/b14-10-
InChIKeyROYAQYCRHNHZPY-UVTDQMKNSA-N
MW266.30 g/mol
LogP4.10
Rot. Bonds2

About (3Z)-5-methyl-3-[[5-(4-methylphenyl)furan-2-yl]methylidene]furan-2-one

(3Z)-5-methyl-3-[[5-(4-methylphenyl)furan-2-yl]methylidene]furan-2-one (PubChem CID 689410) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is (3Z)-5-methyl-3-[[5-(4-methylphenyl)furan-2-yl]methylidene]furan-2-one.

Molecular Properties

Compound Name(3Z)-5-methyl-3-[[5-(4-methylphenyl)furan-2-yl]methylidene]furan-2-one
PubChem CID689410
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name(3Z)-5-methyl-3-[[5-(4-methylphenyl)furan-2-yl]methylidene]furan-2-one
SMILESCC1=C/C(=C/c2ccc(-c3ccc(C)cc3)o2)C(=O)O1
InChIInChI=1S/C17H14O3/c1-11-3-5-13(6-4-11)16-8-7-15(20-16)10-14-9-12(2)19-17(14)18/h3-10H,1-2H3/b14-10-
InChIKeyROYAQYCRHNHZPY-UVTDQMKNSA-N
XLogP4.10
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 54.10
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

(3E)-3-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-5-(4-methylphenyl)furan-2-one
CID 96884905
N-hydroxy-3-[5-[(5-methyl-2-oxofuran-3-ylidene)methyl]furan-2-yl]benzeneamine oxide
CID 163136423
3-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-5-methylfuran-2-one
CID 919291
3-[[5-(4-bromophenyl)furan-2-yl]methylidene]-5-butylfuran-2-one
CID 134811668
4-[[5-(4-methylphenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 876248
(3Z)-3-benzylidene-5-methylfuran-2-one
CID 121009416
(3E)-5-(4-methoxyphenyl)-3-[(5-methylfuran-2-yl)methylidene]furan-2-one
CID 750908
5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one
CID 1352038
5-[[5-(4-iodophenyl)furan-2-yl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 50886295
(3Z)-5-(3,4-dimethoxyphenyl)-3-[(5-methylfuran-2-yl)methylidene]furan-2-one
CID 795115
(5Z)-5-[[5-(4-methylphenyl)furan-2-yl]methylidene]-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-one
CID 2027541
(5Z)-3-methyl-2-(4-methylphenyl)imino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 88888408

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-methyl-3-[[5-(4-methylphenyl)furan-2-yl]methylidene]furan-2-one?
The IUPAC name of (3Z)-5-methyl-3-[[5-(4-methylphenyl)furan-2-yl]methylidene]furan-2-one (CID 689410) is (3Z)-5-methyl-3-[[5-(4-methylphenyl)furan-2-yl]methylidene]furan-2-one.
What is the SMILES notation for (3Z)-5-methyl-3-[[5-(4-methylphenyl)furan-2-yl]methylidene]furan-2-one?
The canonical SMILES for (3Z)-5-methyl-3-[[5-(4-methylphenyl)furan-2-yl]methylidene]furan-2-one is CC1=C/C(=C/c2ccc(-c3ccc(C)cc3)o2)C(=O)O1.
What is the InChIKey of (3Z)-5-methyl-3-[[5-(4-methylphenyl)furan-2-yl]methylidene]furan-2-one?
The InChIKey is ROYAQYCRHNHZPY-UVTDQMKNSA-N. The full InChI is InChI=1S/C17H14O3/c1-11-3-5-13(6-4-11)16-8-7-15(20-16)10-14-9-12(2)19-17(14)18/h3-10H,1-2H3/b14-10-.
What are the key properties of (3Z)-5-methyl-3-[[5-(4-methylphenyl)furan-2-yl]methylidene]furan-2-one?
(3Z)-5-methyl-3-[[5-(4-methylphenyl)furan-2-yl]methylidene]furan-2-one has a molecular weight of 266.30 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-methyl-3-[[5-(4-methylphenyl)furan-2-yl]methylidene]furan-2-one is sourced from PubChem (CID 689410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).