(4Z)-4-[(4-chlorophenoxy)methylidene]-2,3-dihydrothiopyrano[2,3-b]chromen-5-one

C19H13ClO3S — CID 177411085

IUPAC(4Z)-4-[(4-chlorophenoxy)methylidene]-2,3-dihydrothiopyrano[2,3-b]chromen-5-one
SMILESO=c1c2c(oc3ccccc13)SCC/C2=C/Oc1ccc(Cl)cc1
InChIInChI=1S/C19H13ClO3S/c20-13-5-7-14(8-6-13)22-11-12-9-10-24-19-17(12)18(21)15-3-1-2-4-16(15)23-19/h1-8,11H,9-10H2/b12-11-
InChIKeyRXSPNZHMUBRZBA-QXMHVHEDSA-N
MW356.83 g/mol
LogP5.36
Rot. Bonds2

About (4Z)-4-[(4-chlorophenoxy)methylidene]-2,3-dihydrothiopyrano[2,3-b]chromen-5-one

(4Z)-4-[(4-chlorophenoxy)methylidene]-2,3-dihydrothiopyrano[2,3-b]chromen-5-one (PubChem CID 177411085) has the molecular formula C19H13ClO3S and a molecular weight of 356.83 g/mol. Its IUPAC name is (4Z)-4-[(4-chlorophenoxy)methylidene]-2,3-dihydrothiopyrano[2,3-b]chromen-5-one.

Molecular Properties

Compound Name(4Z)-4-[(4-chlorophenoxy)methylidene]-2,3-dihydrothiopyrano[2,3-b]chromen-5-one
PubChem CID177411085
Molecular FormulaC19H13ClO3S
Molecular Weight356.83 g/mol
Exact Mass356.03
IUPAC Name(4Z)-4-[(4-chlorophenoxy)methylidene]-2,3-dihydrothiopyrano[2,3-b]chromen-5-one
SMILESO=c1c2c(oc3ccccc13)SCC/C2=C/Oc1ccc(Cl)cc1
InChIInChI=1S/C19H13ClO3S/c20-13-5-7-14(8-6-13)22-11-12-9-10-24-19-17(12)18(21)15-3-1-2-4-16(15)23-19/h1-8,11H,9-10H2/b12-11-
InChIKeyRXSPNZHMUBRZBA-QXMHVHEDSA-N
XLogP5.36
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.83
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(4Z)-4-[(4-methylphenoxy)methylidene]-2,3-dihydrothiopyrano[2,3-b]chromen-5-one
CID 177444653
3,4-dihydro-2H-thiopyrano[2,3-b]chromen-5-one
CID 170838303
3-benzhydryloxy-2-(4-chlorophenyl)chromen-4-one
CID 46303321
3-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)chromen-4-one
CID 18324974
2-(4-chlorophenyl)-3-(1-oxo-1-phenylpropan-2-yl)oxychromen-4-one
CID 3316849
1-(4-chlorophenyl)xanthen-9-one
CID 168812432
2,3-dihydro-1H-thiopyrano[2,3-c]chromen-5-one
CID 15921866
3-acetyl-2-(4-chlorophenyl)chromen-4-one
CID 5272640
(4-chlorophenyl) 3-methyl-1-benzofuran-2-carboxylate
CID 7900850
3-chloro-2H-thiopyrano[3,2-b]chromen-10-one
CID 154367081
1-chloro-4-[(E)-2-phenylethenoxy]benzene
CID 101411490
2-(2-chlorophenyl)-3-hydroxychromen-4-one
CID 4915039

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(4-chlorophenoxy)methylidene]-2,3-dihydrothiopyrano[2,3-b]chromen-5-one?
The IUPAC name of (4Z)-4-[(4-chlorophenoxy)methylidene]-2,3-dihydrothiopyrano[2,3-b]chromen-5-one (CID 177411085) is (4Z)-4-[(4-chlorophenoxy)methylidene]-2,3-dihydrothiopyrano[2,3-b]chromen-5-one.
What is the SMILES notation for (4Z)-4-[(4-chlorophenoxy)methylidene]-2,3-dihydrothiopyrano[2,3-b]chromen-5-one?
The canonical SMILES for (4Z)-4-[(4-chlorophenoxy)methylidene]-2,3-dihydrothiopyrano[2,3-b]chromen-5-one is O=c1c2c(oc3ccccc13)SCC/C2=C/Oc1ccc(Cl)cc1.
What is the InChIKey of (4Z)-4-[(4-chlorophenoxy)methylidene]-2,3-dihydrothiopyrano[2,3-b]chromen-5-one?
The InChIKey is RXSPNZHMUBRZBA-QXMHVHEDSA-N. The full InChI is InChI=1S/C19H13ClO3S/c20-13-5-7-14(8-6-13)22-11-12-9-10-24-19-17(12)18(21)15-3-1-2-4-16(15)23-19/h1-8,11H,9-10H2/b12-11-.
What are the key properties of (4Z)-4-[(4-chlorophenoxy)methylidene]-2,3-dihydrothiopyrano[2,3-b]chromen-5-one?
(4Z)-4-[(4-chlorophenoxy)methylidene]-2,3-dihydrothiopyrano[2,3-b]chromen-5-one has a molecular weight of 356.83 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(4-chlorophenoxy)methylidene]-2,3-dihydrothiopyrano[2,3-b]chromen-5-one is sourced from PubChem (CID 177411085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).