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

C19H11NO7 — CID 162658494

IUPAC(8Z)-8-[(3-hydroxy-4-nitrophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione
SMILESCc1cc(=O)oc2c3c(ccc12)O/C(=C\c1ccc([N+](=O)[O-])c(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)8-10-2-4-12(20(24)25)13(21)7-10/h2-8,21H,1H3/b15-8-
InChIKeyRNIGDRFYYRCDDP-NVNXTCNLSA-N
MW365.30 g/mol
LogP3.33
Rot. Bonds2

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

(8Z)-8-[(3-hydroxy-4-nitrophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione (PubChem CID 162658494) has the molecular formula C19H11NO7 and a molecular weight of 365.30 g/mol. Its IUPAC name is (8Z)-8-[(3-hydroxy-4-nitrophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione.

Molecular Properties

Compound Name(8Z)-8-[(3-hydroxy-4-nitrophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione
PubChem CID162658494
Molecular FormulaC19H11NO7
Molecular Weight365.30 g/mol
Exact Mass365.05
IUPAC Name(8Z)-8-[(3-hydroxy-4-nitrophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione
SMILESCc1cc(=O)oc2c3c(ccc12)O/C(=C\c1ccc([N+](=O)[O-])c(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)8-10-2-4-12(20(24)25)13(21)7-10/h2-8,21H,1H3/b15-8-
InChIKeyRNIGDRFYYRCDDP-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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Related Compounds

4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(2-nitrophenoxy)-
CID 728401
(2Z)-6-hydroxy-2-[(4-nitrophenyl)methylidene]-1-benzofuran-3-one
CID 940606
8-Benzoyl-4-methyl-9-(4-nitrophenyl)furo[2,3-h]chromen-2-one
CID 45104302
Neuraminidase-IN-5
CID 162645303
7-hydroxy-3-(4-nitrobenzoyl)-2H-chromen-2-one
CID 24762091
2-(4-Hydroxy-3-nitrophenyl)-6,8-dimethylchromen-4-one
CID 28283208
7-Hydroxy-8-methyl-3-(4-nitrophenyl)-4H-1-benzopyran-4-one
CID 21270152
(2Z)-6-hydroxy-2-(3-nitrobenzylidene)-1-benzofuran-3(2H)-one
CID 940770
(E)-1-(5-hydroxy-2,2-dimethyl-chromen-6-yl)-3-(4-nitrophenyl)prop-2-en-1-one
CID 71545003
(2Z,7R)-7-(2-hydroxypropan-2-yl)-2-[(4-nitrophenyl)methylidene]-7,8-dihydrofuro[2,3-g][1]benzofuran-3-one
CID 168288216
Ethyl 5-hydroxy-6-nitro-4-oxo-8-propylchromene-2-carboxylate
CID 2801552
4-Methyl-8-(4-nitrobenzoyl)-9-phenylfuro[2,3-h]chromen-2-one
CID 13133909

Frequently Asked Questions

What is the IUPAC name of (8Z)-8-[(3-hydroxy-4-nitrophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione?
The IUPAC name of (8Z)-8-[(3-hydroxy-4-nitrophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione (CID 162658494) is (8Z)-8-[(3-hydroxy-4-nitrophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione.
What is the SMILES notation for (8Z)-8-[(3-hydroxy-4-nitrophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione?
The canonical SMILES for (8Z)-8-[(3-hydroxy-4-nitrophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione is Cc1cc(=O)oc2c3c(ccc12)O/C(=C\c1ccc([N+](=O)[O-])c(O)c1)C3=O.
What is the InChIKey of (8Z)-8-[(3-hydroxy-4-nitrophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione?
The InChIKey is RNIGDRFYYRCDDP-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)8-10-2-4-12(20(24)25)13(21)7-10/h2-8,21H,1H3/b15-8-.
What are the key properties of (8Z)-8-[(3-hydroxy-4-nitrophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione?
(8Z)-8-[(3-hydroxy-4-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-[(3-hydroxy-4-nitrophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione is sourced from PubChem (CID 162658494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).