(2Z)-2-[(4-chlorophenyl)methylidene]-6-methylfuro[3,2-c]pyran-3,4-dione

C15H9ClO4 — CID 51350863

IUPAC(2Z)-2-[(4-chlorophenyl)methylidene]-6-methylfuro[3,2-c]pyran-3,4-dione
SMILESCc1cc2c(c(=O)o1)C(=O)/C(=C/c1ccc(Cl)cc1)O2
InChIInChI=1S/C15H9ClO4/c1-8-6-11-13(15(18)19-8)14(17)12(20-11)7-9-2-4-10(16)5-3-9/h2-7H,1H3/b12-7-
InChIKeyKEDJBHXUUFGUJX-GHXNOFRVSA-N
MW288.69 g/mol
LogP3.22
Rot. Bonds1

About (2Z)-2-[(4-chlorophenyl)methylidene]-6-methylfuro[3,2-c]pyran-3,4-dione

(2Z)-2-[(4-chlorophenyl)methylidene]-6-methylfuro[3,2-c]pyran-3,4-dione (PubChem CID 51350863) has the molecular formula C15H9ClO4 and a molecular weight of 288.69 g/mol. Its IUPAC name is (2Z)-2-[(4-chlorophenyl)methylidene]-6-methylfuro[3,2-c]pyran-3,4-dione.

Molecular Properties

Compound Name(2Z)-2-[(4-chlorophenyl)methylidene]-6-methylfuro[3,2-c]pyran-3,4-dione
PubChem CID51350863
Molecular FormulaC15H9ClO4
Molecular Weight288.69 g/mol
Exact Mass288.02
IUPAC Name(2Z)-2-[(4-chlorophenyl)methylidene]-6-methylfuro[3,2-c]pyran-3,4-dione
SMILESCc1cc2c(c(=O)o1)C(=O)/C(=C/c1ccc(Cl)cc1)O2
InChIInChI=1S/C15H9ClO4/c1-8-6-11-13(15(18)19-8)14(17)12(20-11)7-9-2-4-10(16)5-3-9/h2-7H,1H3/b12-7-
InChIKeyKEDJBHXUUFGUJX-GHXNOFRVSA-N
XLogP3.22
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(8E)-8-[(4-chlorophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione
CID 5390931
(2E)-6-methyl-2-[(2-nitrophenyl)methylidene]furo[3,2-c]pyran-3,4-dione
CID 177418726
(2E)-2-[(4-chlorophenyl)methylidene]-1-benzofuran-3-one
CID 24762442
(2Z)-2-benzylidene-5-chloro-4,6-dimethyl-1-benzofuran-3-one
CID 163322912
(2Z)-2-[(3,5-dichlorophenyl)methylidene]-6-hydroxy-4-methyl-1-benzofuran-3-one
CID 71687808
(2Z)-2-[(4-chlorophenyl)methylidene]-5-methoxy-4-propoxy-1-benzofuran-3-one
CID 10315518
[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]-4-methyl-3-oxo-1-benzofuran-6-yl] 4-chlorobenzoate
CID 95018317
methane;(2Z)-4-methoxy-6-methyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one
CID 157455661
(2Z)-5-chloro-2-[(4-fluorophenyl)methylidene]-1-benzofuran-3-one
CID 18823460
2-[(4-chlorophenyl)methylidene]-4,6-bis(methoxymethoxy)-5,7-dimethyl-1-benzofuran-3-one
CID 75953781
(2Z)-5-chloro-2-[[4-(diethylamino)phenyl]methylidene]-1-benzofuran-3-one
CID 18823474
[2-[(4-chlorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-methoxybenzoate
CID 5264316

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-chlorophenyl)methylidene]-6-methylfuro[3,2-c]pyran-3,4-dione?
The IUPAC name of (2Z)-2-[(4-chlorophenyl)methylidene]-6-methylfuro[3,2-c]pyran-3,4-dione (CID 51350863) is (2Z)-2-[(4-chlorophenyl)methylidene]-6-methylfuro[3,2-c]pyran-3,4-dione.
What is the SMILES notation for (2Z)-2-[(4-chlorophenyl)methylidene]-6-methylfuro[3,2-c]pyran-3,4-dione?
The canonical SMILES for (2Z)-2-[(4-chlorophenyl)methylidene]-6-methylfuro[3,2-c]pyran-3,4-dione is Cc1cc2c(c(=O)o1)C(=O)/C(=C/c1ccc(Cl)cc1)O2.
What is the InChIKey of (2Z)-2-[(4-chlorophenyl)methylidene]-6-methylfuro[3,2-c]pyran-3,4-dione?
The InChIKey is KEDJBHXUUFGUJX-GHXNOFRVSA-N. The full InChI is InChI=1S/C15H9ClO4/c1-8-6-11-13(15(18)19-8)14(17)12(20-11)7-9-2-4-10(16)5-3-9/h2-7H,1H3/b12-7-.
What are the key properties of (2Z)-2-[(4-chlorophenyl)methylidene]-6-methylfuro[3,2-c]pyran-3,4-dione?
(2Z)-2-[(4-chlorophenyl)methylidene]-6-methylfuro[3,2-c]pyran-3,4-dione has a molecular weight of 288.69 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-chlorophenyl)methylidene]-6-methylfuro[3,2-c]pyran-3,4-dione is sourced from PubChem (CID 51350863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).