8-hydroxy-3-nitro-[1]benzofuro[3,2-c]chromen-6-one

C15H7NO6 — CID 169315990

IUPAC8-hydroxy-3-nitro-[1]benzofuro[3,2-c]chromen-6-one
SMILESO=c1oc2cc([N+](=O)[O-])ccc2c2oc3ccc(O)cc3c12
InChIInChI=1S/C15H7NO6/c17-8-2-4-11-10(6-8)13-14(21-11)9-3-1-7(16(19)20)5-12(9)22-15(13)18/h1-6,17H
InChIKeyLMPNHMHDMSLPRC-UHFFFAOYSA-N
MW297.22 g/mol
LogP3.31
Rot. Bonds1

About 8-hydroxy-3-nitro-[1]benzofuro[3,2-c]chromen-6-one

8-hydroxy-3-nitro-[1]benzofuro[3,2-c]chromen-6-one (PubChem CID 169315990) has the molecular formula C15H7NO6 and a molecular weight of 297.22 g/mol. Its IUPAC name is 8-hydroxy-3-nitro-[1]benzofuro[3,2-c]chromen-6-one.

Molecular Properties

Compound Name8-hydroxy-3-nitro-[1]benzofuro[3,2-c]chromen-6-one
PubChem CID169315990
Molecular FormulaC15H7NO6
Molecular Weight297.22 g/mol
Exact Mass297.03
IUPAC Name8-hydroxy-3-nitro-[1]benzofuro[3,2-c]chromen-6-one
SMILESO=c1oc2cc([N+](=O)[O-])ccc2c2oc3ccc(O)cc3c12
InChIInChI=1S/C15H7NO6/c17-8-2-4-11-10(6-8)13-14(21-11)9-3-1-7(16(19)20)5-12(9)22-15(13)18/h1-6,17H
InChIKeyLMPNHMHDMSLPRC-UHFFFAOYSA-N
XLogP3.31
TPSA106.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', '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

7-hydroxy-3,4-dinitrochromen-2-one
CID 87998789
9-hydroxy-3-methoxy-[1]benzofuro[3,2-c]chromen-6-one
CID 131750884
4-methyl-6-nitro-2-oxochromene-3-carboxylic acid
CID 122370130
2-bromo-3,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one
CID 42600759
4,7-dihydroxy-3-[3-methyl-1-(4-nitrophenyl)but-3-enyl]chromen-2-one
CID 54702817
(5S,6S)-5,16-dihydroxy-6-(2-hydroxypropan-2-yl)-7,11,19-trioxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaen-20-one
CID 122177580
N-(4-bromophenyl)-4-hydroxy-7-nitro-2-oxochromene-3-carboxamide
CID 57024288
4-amino-3,6-dinitrochromen-2-one
CID 4118754
8-fluoro-3-methyl-[1]benzofuro[3,2-c]chromen-6-one
CID 118531178
8-bromo-[1]benzofuro[3,2-c]chromen-6-one
CID 132544838
6-oxo-8-(prop-1-en-2-ylamino)-[1]benzofuro[3,2-c]chromene-3-carboxylic acid
CID 174151009
4-hydroxy-8,14-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione
CID 143335534

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-3-nitro-[1]benzofuro[3,2-c]chromen-6-one?
The IUPAC name of 8-hydroxy-3-nitro-[1]benzofuro[3,2-c]chromen-6-one (CID 169315990) is 8-hydroxy-3-nitro-[1]benzofuro[3,2-c]chromen-6-one.
What is the SMILES notation for 8-hydroxy-3-nitro-[1]benzofuro[3,2-c]chromen-6-one?
The canonical SMILES for 8-hydroxy-3-nitro-[1]benzofuro[3,2-c]chromen-6-one is O=c1oc2cc([N+](=O)[O-])ccc2c2oc3ccc(O)cc3c12.
What is the InChIKey of 8-hydroxy-3-nitro-[1]benzofuro[3,2-c]chromen-6-one?
The InChIKey is LMPNHMHDMSLPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7NO6/c17-8-2-4-11-10(6-8)13-14(21-11)9-3-1-7(16(19)20)5-12(9)22-15(13)18/h1-6,17H.
What are the key properties of 8-hydroxy-3-nitro-[1]benzofuro[3,2-c]chromen-6-one?
8-hydroxy-3-nitro-[1]benzofuro[3,2-c]chromen-6-one has a molecular weight of 297.22 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-3-nitro-[1]benzofuro[3,2-c]chromen-6-one is sourced from PubChem (CID 169315990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).