2-(furan-2-ylmethylidene)-7-(4-methoxyphenoxy)-3-phenyl-3H-inden-1-one

C27H20O4 — CID 2765423

IUPAC2-(furan-2-ylmethylidene)-7-(4-methoxyphenoxy)-3-phenyl-3H-inden-1-one
SMILESCOc1ccc(Oc2cccc3c2C(=O)C(=Cc2ccco2)C3c2ccccc2)cc1
InChIInChI=1S/C27H20O4/c1-29-19-12-14-20(15-13-19)31-24-11-5-10-22-25(18-7-3-2-4-8-18)23(27(28)26(22)24)17-21-9-6-16-30-21/h2-17,25H,1H3
InChIKeyIHFOCWUXWQQKET-UHFFFAOYSA-N
MW408.45 g/mol
LogP6.49
Rot. Bonds5

About 2-(furan-2-ylmethylidene)-7-(4-methoxyphenoxy)-3-phenyl-3H-inden-1-one

2-(furan-2-ylmethylidene)-7-(4-methoxyphenoxy)-3-phenyl-3H-inden-1-one (PubChem CID 2765423) has the molecular formula C27H20O4 and a molecular weight of 408.45 g/mol. Its IUPAC name is 2-(furan-2-ylmethylidene)-7-(4-methoxyphenoxy)-3-phenyl-3H-inden-1-one.

Molecular Properties

Compound Name2-(furan-2-ylmethylidene)-7-(4-methoxyphenoxy)-3-phenyl-3H-inden-1-one
PubChem CID2765423
Molecular FormulaC27H20O4
Molecular Weight408.45 g/mol
Exact Mass408.14
IUPAC Name2-(furan-2-ylmethylidene)-7-(4-methoxyphenoxy)-3-phenyl-3H-inden-1-one
SMILESCOc1ccc(Oc2cccc3c2C(=O)C(=Cc2ccco2)C3c2ccccc2)cc1
InChIInChI=1S/C27H20O4/c1-29-19-12-14-20(15-13-19)31-24-11-5-10-22-25(18-7-3-2-4-8-18)23(27(28)26(22)24)17-21-9-6-16-30-21/h2-17,25H,1H3
InChIKeyIHFOCWUXWQQKET-UHFFFAOYSA-N
XLogP6.49
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.45
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(furan-2-ylmethylidene)-7-(4-methoxyphenoxy)-3-phenyl-3H-inden-1-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

(3R)-2-(furan-2-ylmethylidene)-7-(4-methoxyphenoxy)-3-phenyl-3H-inden-1-one
CID 1472129
(2Z,3R)-7-(4-chlorophenoxy)-2-(dimethylaminomethylidene)-3-phenyl-3H-inden-1-one
CID 1488475
(3S)-7-(4-chlorophenoxy)-2-(dimethylaminomethylidene)-3-phenyl-3H-inden-1-one
CID 6987295
(2S,3Z)-3-(furan-2-ylmethylidene)-2-phenylchromen-4-one
CID 838807
(3E)-3-benzylidene-5-hydroxy-2-(4-methoxyphenyl)chromen-4-one
CID 70356611
4-(furan-2-ylmethylidene)-2-[(4-methoxyphenyl)methyl]isoquinoline-1,3-dione
CID 8005958
(2E)-3-[furan-2-yl(hydroxy)methyl]-2-(furan-2-ylmethylidene)-5,6-dimethoxy-3H-inden-1-one
CID 11667744
2-[(E)-2-(4-methoxyphenyl)ethenyl]furan
CID 11052638
(4E)-2-(2,6-dimethoxyphenyl)-4-(furan-2-ylmethylidene)-1,3-oxazol-5-one
CID 108935787
5-methoxy-1-phenyl-1,3-dihydroinden-2-one
CID 14640420
2-methoxy-7-phenylbicyclo[4.1.0]hepta-1(6),2,4-triene
CID 174806926
methyl (3S,4R)-3-[(E)-2-(furan-2-yl)ethenyl]-1-[(4-methoxyphenyl)methyl]-2-oxo-4-phenylazetidine-3-carboxylate
CID 164682721

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylidene)-7-(4-methoxyphenoxy)-3-phenyl-3H-inden-1-one?
The IUPAC name of 2-(furan-2-ylmethylidene)-7-(4-methoxyphenoxy)-3-phenyl-3H-inden-1-one (CID 2765423) is 2-(furan-2-ylmethylidene)-7-(4-methoxyphenoxy)-3-phenyl-3H-inden-1-one.
What is the SMILES notation for 2-(furan-2-ylmethylidene)-7-(4-methoxyphenoxy)-3-phenyl-3H-inden-1-one?
The canonical SMILES for 2-(furan-2-ylmethylidene)-7-(4-methoxyphenoxy)-3-phenyl-3H-inden-1-one is COc1ccc(Oc2cccc3c2C(=O)C(=Cc2ccco2)C3c2ccccc2)cc1.
What is the InChIKey of 2-(furan-2-ylmethylidene)-7-(4-methoxyphenoxy)-3-phenyl-3H-inden-1-one?
The InChIKey is IHFOCWUXWQQKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20O4/c1-29-19-12-14-20(15-13-19)31-24-11-5-10-22-25(18-7-3-2-4-8-18)23(27(28)26(22)24)17-21-9-6-16-30-21/h2-17,25H,1H3.
What are the key properties of 2-(furan-2-ylmethylidene)-7-(4-methoxyphenoxy)-3-phenyl-3H-inden-1-one?
2-(furan-2-ylmethylidene)-7-(4-methoxyphenoxy)-3-phenyl-3H-inden-1-one has a molecular weight of 408.45 g/mol, XLogP of 6.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylidene)-7-(4-methoxyphenoxy)-3-phenyl-3H-inden-1-one is sourced from PubChem (CID 2765423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).