(2Z)-2-[[4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one

C27H17ClO4 — CID 45028845

IUPAC(2Z)-2-[[4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one
SMILESO=C(COc1ccc(/C=C2\Oc3ccc4ccccc4c3C2=O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C27H17ClO4/c28-20-10-7-19(8-11-20)23(29)16-31-21-12-5-17(6-13-21)15-25-27(30)26-22-4-2-1-3-18(22)9-14-24(26)32-25/h1-15H,16H2/b25-15-
InChIKeyZCYILDDQDAFGNA-MYYYXRDXSA-N
MW440.88 g/mol
LogP6.37
Rot. Bonds5

About (2Z)-2-[[4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one

(2Z)-2-[[4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one (PubChem CID 45028845) has the molecular formula C27H17ClO4 and a molecular weight of 440.88 g/mol. Its IUPAC name is (2Z)-2-[[4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one.

Molecular Properties

Compound Name(2Z)-2-[[4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one
PubChem CID45028845
Molecular FormulaC27H17ClO4
Molecular Weight440.88 g/mol
Exact Mass440.08
IUPAC Name(2Z)-2-[[4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one
SMILESO=C(COc1ccc(/C=C2\Oc3ccc4ccccc4c3C2=O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C27H17ClO4/c28-20-10-7-19(8-11-20)23(29)16-31-21-12-5-17(6-13-21)15-25-27(30)26-22-4-2-1-3-18(22)9-14-24(26)32-25/h1-15H,16H2/b25-15-
InChIKeyZCYILDDQDAFGNA-MYYYXRDXSA-N
XLogP6.37
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.88
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2Z)-2-[[4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-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

2-[(4-chlorophenyl)methylidene]-6-phenacyloxy-1-benzofuran-3-one
CID 5266131
6-[2-(4-chlorophenyl)-2-oxoethoxy]-2-[(4-propan-2-ylphenyl)methylidene]-1-benzofuran-3-one
CID 5266210
6-[2-(4-chlorophenyl)-2-oxoethoxy]-2-[(4-nitrophenyl)methylidene]-1-benzofuran-3-one
CID 3501358
6-[2-(4-chlorophenyl)-2-oxoethoxy]-2-[(3,4-dimethoxyphenyl)methylidene]-1-benzofuran-3-one
CID 3785166
6-[2-(4-chlorophenyl)-2-oxoethoxy]-2-(1H-indol-3-ylmethylidene)-1-benzofuran-3-one
CID 3696610
6-[2-(4-chlorophenyl)-2-oxoethoxy]-2-(pyridin-3-ylmethylidene)-1-benzofuran-3-one
CID 4861173
2-[(4-ethoxyphenyl)methylidene]-6-phenacyloxy-1-benzofuran-3-one
CID 4711133
(2E)-6-[2-(4-chlorophenyl)-2-oxoethoxy]-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-3-one
CID 2009356
(2Z)-2-[(4-ethoxyphenyl)methylidene]-6-[2-(4-methoxyphenyl)-2-oxoethoxy]-1-benzofuran-3-one
CID 19261170
2-benzylidene-6-[2-(4-bromophenyl)-2-oxoethoxy]-1-benzofuran-3-one
CID 5266346
2-benzylidene-6-[2-(4-fluorophenyl)-2-oxoethoxy]-1-benzofuran-3-one
CID 5266201
6-[2-(4-chlorophenyl)-2-oxoethoxy]-2-[(2,3-dichlorophenyl)methylidene]-1-benzofuran-3-one
CID 4861175

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[[4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one?
The IUPAC name of (2Z)-2-[[4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one (CID 45028845) is (2Z)-2-[[4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one.
What is the SMILES notation for (2Z)-2-[[4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one?
The canonical SMILES for (2Z)-2-[[4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one is O=C(COc1ccc(/C=C2\Oc3ccc4ccccc4c3C2=O)cc1)c1ccc(Cl)cc1.
What is the InChIKey of (2Z)-2-[[4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one?
The InChIKey is ZCYILDDQDAFGNA-MYYYXRDXSA-N. The full InChI is InChI=1S/C27H17ClO4/c28-20-10-7-19(8-11-20)23(29)16-31-21-12-5-17(6-13-21)15-25-27(30)26-22-4-2-1-3-18(22)9-14-24(26)32-25/h1-15H,16H2/b25-15-.
What are the key properties of (2Z)-2-[[4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one?
(2Z)-2-[[4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one has a molecular weight of 440.88 g/mol, XLogP of 6.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[[4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one is sourced from PubChem (CID 45028845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).