3-[(E)-(2-oxo-5-phenylfuran-3-ylidene)methyl]chromen-4-one

C20H12O4 — CID 172635246

IUPAC3-[(E)-(2-oxo-5-phenylfuran-3-ylidene)methyl]chromen-4-one
SMILESO=C1OC(c2ccccc2)=C/C1=C\c1coc2ccccc2c1=O
InChIInChI=1S/C20H12O4/c21-19-15(12-23-17-9-5-4-8-16(17)19)10-14-11-18(24-20(14)22)13-6-2-1-3-7-13/h1-12H/b14-10+
InChIKeyOBAOCOIGEOHHAC-GXDHUFHOSA-N
MW316.31 g/mol
LogP3.77
Rot. Bonds2

About 3-[(E)-(2-oxo-5-phenylfuran-3-ylidene)methyl]chromen-4-one

3-[(E)-(2-oxo-5-phenylfuran-3-ylidene)methyl]chromen-4-one (PubChem CID 172635246) has the molecular formula C20H12O4 and a molecular weight of 316.31 g/mol. Its IUPAC name is 3-[(E)-(2-oxo-5-phenylfuran-3-ylidene)methyl]chromen-4-one.

Molecular Properties

Compound Name3-[(E)-(2-oxo-5-phenylfuran-3-ylidene)methyl]chromen-4-one
PubChem CID172635246
Molecular FormulaC20H12O4
Molecular Weight316.31 g/mol
Exact Mass316.07
IUPAC Name3-[(E)-(2-oxo-5-phenylfuran-3-ylidene)methyl]chromen-4-one
SMILESO=C1OC(c2ccccc2)=C/C1=C\c1coc2ccccc2c1=O
InChIInChI=1S/C20H12O4/c21-19-15(12-23-17-9-5-4-8-16(17)19)10-14-11-18(24-20(14)22)13-6-2-1-3-7-13/h1-12H/b14-10+
InChIKeyOBAOCOIGEOHHAC-GXDHUFHOSA-N
XLogP3.77
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 53.77
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'}

Analyze 3-[(E)-(2-oxo-5-phenylfuran-3-ylidene)methyl]chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3Z)-3-[(2-hydroxyphenyl)methylidene]-5-phenylfuran-2-one
CID 6272528
(3Z)-3-[[4-[(Z)-(2-oxo-5-phenylfuran-3-ylidene)methyl]phenyl]methylidene]-5-phenylfuran-2-one
CID 11984182
3-[(2-bromophenyl)methylidene]-5-phenylfuran-2-one
CID 888387
5-[(4-oxochromen-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2186033
(3E)-3-(anthracen-9-ylmethylidene)-5-(4-phenylphenyl)furan-2-one
CID 11091173
6-methyl-4-[(E)-(2-oxo-5-phenylfuran-3-ylidene)methyl]chromen-2-one
CID 11580746
3-phenylchromen-4-one;phosphane
CID 174413449
(4Z)-2-(3-bromophenyl)-4-[(4-oxochromen-3-yl)methylidene]-1,3-oxazol-5-one
CID 6512926
ethane;3-phenylchromen-4-one
CID 90946880
2-(4-chlorophenyl)-4-[(4-oxochromen-3-yl)methylidene]-1,3-oxazol-5-one
CID 4203641
(4Z)-2-(4-chlorophenyl)-4-[(4-oxochromen-3-yl)methylidene]-1,3-oxazol-5-one
CID 6523640
2-(5-bromo-3-pyridinyl)-4-[(4-oxochromen-3-yl)methylidene]-1,3-oxazol-5-one
CID 4083180

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(2-oxo-5-phenylfuran-3-ylidene)methyl]chromen-4-one?
The IUPAC name of 3-[(E)-(2-oxo-5-phenylfuran-3-ylidene)methyl]chromen-4-one (CID 172635246) is 3-[(E)-(2-oxo-5-phenylfuran-3-ylidene)methyl]chromen-4-one.
What is the SMILES notation for 3-[(E)-(2-oxo-5-phenylfuran-3-ylidene)methyl]chromen-4-one?
The canonical SMILES for 3-[(E)-(2-oxo-5-phenylfuran-3-ylidene)methyl]chromen-4-one is O=C1OC(c2ccccc2)=C/C1=C\c1coc2ccccc2c1=O.
What is the InChIKey of 3-[(E)-(2-oxo-5-phenylfuran-3-ylidene)methyl]chromen-4-one?
The InChIKey is OBAOCOIGEOHHAC-GXDHUFHOSA-N. The full InChI is InChI=1S/C20H12O4/c21-19-15(12-23-17-9-5-4-8-16(17)19)10-14-11-18(24-20(14)22)13-6-2-1-3-7-13/h1-12H/b14-10+.
What are the key properties of 3-[(E)-(2-oxo-5-phenylfuran-3-ylidene)methyl]chromen-4-one?
3-[(E)-(2-oxo-5-phenylfuran-3-ylidene)methyl]chromen-4-one has a molecular weight of 316.31 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(2-oxo-5-phenylfuran-3-ylidene)methyl]chromen-4-one is sourced from PubChem (CID 172635246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).