3-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-5-methylfuran-2-one

C17H14O4 — CID 919291

IUPAC3-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-5-methylfuran-2-one
SMILESCOc1ccccc1-c1ccc(C=C2C=C(C)OC2=O)o1
InChIInChI=1S/C17H14O4/c1-11-9-12(17(18)20-11)10-13-7-8-16(21-13)14-5-3-4-6-15(14)19-2/h3-10H,1-2H3
InChIKeyPWZJTGPYFXAKIY-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.80
Rot. Bonds3

About 3-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-5-methylfuran-2-one

3-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-5-methylfuran-2-one (PubChem CID 919291) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-5-methylfuran-2-one.

Molecular Properties

Compound Name3-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-5-methylfuran-2-one
PubChem CID919291
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name3-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-5-methylfuran-2-one
SMILESCOc1ccccc1-c1ccc(C=C2C=C(C)OC2=O)o1
InChIInChI=1S/C17H14O4/c1-11-9-12(17(18)20-11)10-13-7-8-16(21-13)14-5-3-4-6-15(14)19-2/h3-10H,1-2H3
InChIKeyPWZJTGPYFXAKIY-UHFFFAOYSA-N
XLogP3.80
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(3Z)-5-methyl-3-[[5-(4-methylphenyl)furan-2-yl]methylidene]furan-2-one
CID 689410
(4Z)-4-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 916385
(5Z)-5-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 11580302
(3Z)-3-benzylidene-5-methylfuran-2-one
CID 121009416
5-[4-(2-methoxyphenyl)phenyl]furan-2-carbaldehyde
CID 169332736
2-[[5-(2-methoxyphenyl)furan-2-yl]methylideneamino]acetamide
CID 148883740
(3Z)-5-(3,4-dimethoxyphenyl)-3-[(5-methylfuran-2-yl)methylidene]furan-2-one
CID 795115
(3E)-5-(4-methoxyphenyl)-3-[(5-methylfuran-2-yl)methylidene]furan-2-one
CID 750908
2-(2-methoxyphenyl)-5-(4-methoxyphenyl)furan
CID 132514365
4-[5-(2-methoxyphenyl)furan-2-yl]chromen-2-one
CID 135259598
(5Z)-2-(2-methoxyphenyl)imino-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 136782305
(3E)-3-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-5-(4-methylphenyl)furan-2-one
CID 96884905

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-5-methylfuran-2-one?
The IUPAC name of 3-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-5-methylfuran-2-one (CID 919291) is 3-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-5-methylfuran-2-one.
What is the SMILES notation for 3-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-5-methylfuran-2-one?
The canonical SMILES for 3-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-5-methylfuran-2-one is COc1ccccc1-c1ccc(C=C2C=C(C)OC2=O)o1.
What is the InChIKey of 3-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-5-methylfuran-2-one?
The InChIKey is PWZJTGPYFXAKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-11-9-12(17(18)20-11)10-13-7-8-16(21-13)14-5-3-4-6-15(14)19-2/h3-10H,1-2H3.
What are the key properties of 3-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-5-methylfuran-2-one?
3-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-5-methylfuran-2-one has a molecular weight of 282.30 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-5-methylfuran-2-one is sourced from PubChem (CID 919291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).