(3Z)-3-(3-methoxy-5-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one

C19H12O5 — CID 90470463

IUPAC(3Z)-3-(3-methoxy-5-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one
SMILESCOC1=C(c2ccccc2)C(=O)O/C1=C1\C(=O)Oc2ccccc21
InChIInChI=1S/C19H12O5/c1-22-16-14(11-7-3-2-4-8-11)18(20)24-17(16)15-12-9-5-6-10-13(12)23-19(15)21/h2-10H,1H3/b17-15-
InChIKeyZELGBELYWRSUSX-ICFOKQHNSA-N
MW320.30 g/mol
LogP2.93
Rot. Bonds2

About (3Z)-3-(3-methoxy-5-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one

(3Z)-3-(3-methoxy-5-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one (PubChem CID 90470463) has the molecular formula C19H12O5 and a molecular weight of 320.30 g/mol. Its IUPAC name is (3Z)-3-(3-methoxy-5-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one.

Molecular Properties

Compound Name(3Z)-3-(3-methoxy-5-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one
PubChem CID90470463
Molecular FormulaC19H12O5
Molecular Weight320.30 g/mol
Exact Mass320.07
IUPAC Name(3Z)-3-(3-methoxy-5-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one
SMILESCOC1=C(c2ccccc2)C(=O)O/C1=C1\C(=O)Oc2ccccc21
InChIInChI=1S/C19H12O5/c1-22-16-14(11-7-3-2-4-8-11)18(20)24-17(16)15-12-9-5-6-10-13(12)23-19(15)21/h2-10H,1H3/b17-15-
InChIKeyZELGBELYWRSUSX-ICFOKQHNSA-N
XLogP2.93
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1-phenylindeno[2,1-b]furan-2-one
CID 71416090
5-methoxy-3,4-bis(4-methoxyphenyl)-7-phenyl-1-benzofuran-2,6-dione
CID 163039669
(3R,5E)-5-(2-oxo-1-benzofuran-3-ylidene)-3-phenyloxolane-2,4-dione
CID 163194275
3-phenyl-4-(3,4,5-trimethoxyphenyl)furan-2,5-dione
CID 46225317
3-(4-chlorophenyl)-4-methoxy-5-methylidenefuran-2-one
CID 71626990
(3E)-3-(5-oxofuran-2-ylidene)-1-benzofuran-2-one
CID 56957647
(5-methoxy-4-phenyl-1-benzoxepin-3-yl) acetate
CID 13116087
2-[2-(4-methoxyphenyl)chromen-4-ylidene]indene-1,3-dione
CID 132568688
9-[2,3-di(xanthen-9-ylidene)cyclopropylidene]xanthene
CID 102008343
5-methoxy-4-phenyl-1-benzoxepine-3-carbonitrile
CID 86220398
7-methoxy-2-methyl-3-phenylinden-1-one
CID 101034748
1-methylidene-9-phenylxanthene
CID 87787264

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(3-methoxy-5-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one?
The IUPAC name of (3Z)-3-(3-methoxy-5-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one (CID 90470463) is (3Z)-3-(3-methoxy-5-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one.
What is the SMILES notation for (3Z)-3-(3-methoxy-5-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one?
The canonical SMILES for (3Z)-3-(3-methoxy-5-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one is COC1=C(c2ccccc2)C(=O)O/C1=C1\C(=O)Oc2ccccc21.
What is the InChIKey of (3Z)-3-(3-methoxy-5-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one?
The InChIKey is ZELGBELYWRSUSX-ICFOKQHNSA-N. The full InChI is InChI=1S/C19H12O5/c1-22-16-14(11-7-3-2-4-8-11)18(20)24-17(16)15-12-9-5-6-10-13(12)23-19(15)21/h2-10H,1H3/b17-15-.
What are the key properties of (3Z)-3-(3-methoxy-5-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one?
(3Z)-3-(3-methoxy-5-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one has a molecular weight of 320.30 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(3-methoxy-5-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one is sourced from PubChem (CID 90470463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).