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

C16H12O4 — CID 919893

IUPAC(5E)-5-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]furan-2-one
SMILESCOc1ccccc1-c1ccc(/C=C2\C=CC(=O)O2)o1
InChIInChI=1S/C16H12O4/c1-18-14-5-3-2-4-13(14)15-8-6-11(19-15)10-12-7-9-16(17)20-12/h2-10H,1H3/b12-10+
InChIKeyYPRVALXGAJYVIY-ZRDIBKRKSA-N
MW268.27 g/mol
LogP3.41
Rot. Bonds3

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

(5E)-5-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]furan-2-one (PubChem CID 919893) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is (5E)-5-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]furan-2-one.

Molecular Properties

Compound Name(5E)-5-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]furan-2-one
PubChem CID919893
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name(5E)-5-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]furan-2-one
SMILESCOc1ccccc1-c1ccc(/C=C2\C=CC(=O)O2)o1
InChIInChI=1S/C16H12O4/c1-18-14-5-3-2-4-13(14)15-8-6-11(19-15)10-12-7-9-16(17)20-12/h2-10H,1H3/b12-10+
InChIKeyYPRVALXGAJYVIY-ZRDIBKRKSA-N
XLogP3.41
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]furan-2-one?
The IUPAC name of (5E)-5-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]furan-2-one (CID 919893) is (5E)-5-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]furan-2-one.
What is the SMILES notation for (5E)-5-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]furan-2-one?
The canonical SMILES for (5E)-5-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]furan-2-one is COc1ccccc1-c1ccc(/C=C2\C=CC(=O)O2)o1.
What is the InChIKey of (5E)-5-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]furan-2-one?
The InChIKey is YPRVALXGAJYVIY-ZRDIBKRKSA-N. The full InChI is InChI=1S/C16H12O4/c1-18-14-5-3-2-4-13(14)15-8-6-11(19-15)10-12-7-9-16(17)20-12/h2-10H,1H3/b12-10+.
What are the key properties of (5E)-5-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]furan-2-one?
(5E)-5-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]furan-2-one has a molecular weight of 268.27 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]furan-2-one is sourced from PubChem (CID 919893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).