(8Z)-8-[(4-hydroxy-3-nitrophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione

C19H11NO7 — CID 162645303

IUPAC(8Z)-8-[(4-hydroxy-3-nitrophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione
SMILESCc1cc(=O)oc2c3c(ccc12)O/C(=C\c1ccc(O)c([N+](=O)[O-])c1)C3=O
InChIInChI=1S/C19H11NO7/c1-9-6-16(22)27-19-11(9)3-5-14-17(19)18(23)15(26-14)8-10-2-4-13(21)12(7-10)20(24)25/h2-8,21H,1H3/b15-8-
InChIKeyGWNWFWWGBSKDLJ-NVNXTCNLSA-N
MW365.30 g/mol
LogP3.33
Rot. Bonds2

About (8Z)-8-[(4-hydroxy-3-nitrophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione

(8Z)-8-[(4-hydroxy-3-nitrophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione (PubChem CID 162645303) has the molecular formula C19H11NO7 and a molecular weight of 365.30 g/mol. Its IUPAC name is (8Z)-8-[(4-hydroxy-3-nitrophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione.

Molecular Properties

Compound Name(8Z)-8-[(4-hydroxy-3-nitrophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione
PubChem CID162645303
Molecular FormulaC19H11NO7
Molecular Weight365.30 g/mol
Exact Mass365.05
IUPAC Name(8Z)-8-[(4-hydroxy-3-nitrophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione
SMILESCc1cc(=O)oc2c3c(ccc12)O/C(=C\c1ccc(O)c([N+](=O)[O-])c1)C3=O
InChIInChI=1S/C19H11NO7/c1-9-6-16(22)27-19-11(9)3-5-14-17(19)18(23)15(26-14)8-10-2-4-13(21)12(7-10)20(24)25/h2-8,21H,1H3/b15-8-
InChIKeyGWNWFWWGBSKDLJ-NVNXTCNLSA-N
XLogP3.33
TPSA119.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8Z)-8-[(4-hydroxy-3-nitrophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione?
The IUPAC name of (8Z)-8-[(4-hydroxy-3-nitrophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione (CID 162645303) is (8Z)-8-[(4-hydroxy-3-nitrophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione.
What is the SMILES notation for (8Z)-8-[(4-hydroxy-3-nitrophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione?
The canonical SMILES for (8Z)-8-[(4-hydroxy-3-nitrophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione is Cc1cc(=O)oc2c3c(ccc12)O/C(=C\c1ccc(O)c([N+](=O)[O-])c1)C3=O.
What is the InChIKey of (8Z)-8-[(4-hydroxy-3-nitrophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione?
The InChIKey is GWNWFWWGBSKDLJ-NVNXTCNLSA-N. The full InChI is InChI=1S/C19H11NO7/c1-9-6-16(22)27-19-11(9)3-5-14-17(19)18(23)15(26-14)8-10-2-4-13(21)12(7-10)20(24)25/h2-8,21H,1H3/b15-8-.
What are the key properties of (8Z)-8-[(4-hydroxy-3-nitrophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione?
(8Z)-8-[(4-hydroxy-3-nitrophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione has a molecular weight of 365.30 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-8-[(4-hydroxy-3-nitrophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione is sourced from PubChem (CID 162645303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).