methyl 8-hydroxy-2-nitro-6H-benzo[c]chromene-9-carboxylate

C15H11NO6 — CID 146166880

IUPACmethyl 8-hydroxy-2-nitro-6H-benzo[c]chromene-9-carboxylate
SMILESCOC(=O)c1cc2c(cc1O)COc1ccc([N+](=O)[O-])cc1-2
InChIInChI=1S/C15H11NO6/c1-21-15(18)12-6-10-8(4-13(12)17)7-22-14-3-2-9(16(19)20)5-11(10)14/h2-6,17H,7H2,1H3
InChIKeyDHRMOEMDQVZACQ-UHFFFAOYSA-N
MW301.25 g/mol
LogP2.65
Rot. Bonds2

About methyl 8-hydroxy-2-nitro-6H-benzo[c]chromene-9-carboxylate

methyl 8-hydroxy-2-nitro-6H-benzo[c]chromene-9-carboxylate (PubChem CID 146166880) has the molecular formula C15H11NO6 and a molecular weight of 301.25 g/mol. Its IUPAC name is methyl 8-hydroxy-2-nitro-6H-benzo[c]chromene-9-carboxylate.

Molecular Properties

Compound Namemethyl 8-hydroxy-2-nitro-6H-benzo[c]chromene-9-carboxylate
PubChem CID146166880
Molecular FormulaC15H11NO6
Molecular Weight301.25 g/mol
Exact Mass301.06
IUPAC Namemethyl 8-hydroxy-2-nitro-6H-benzo[c]chromene-9-carboxylate
SMILESCOC(=O)c1cc2c(cc1O)COc1ccc([N+](=O)[O-])cc1-2
InChIInChI=1S/C15H11NO6/c1-21-15(18)12-6-10-8(4-13(12)17)7-22-14-3-2-9(16(19)20)5-11(10)14/h2-6,17H,7H2,1H3
InChIKeyDHRMOEMDQVZACQ-UHFFFAOYSA-N
XLogP2.65
TPSA98.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.25
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 methyl 8-hydroxy-2-nitro-6H-benzo[c]chromene-9-carboxylate?
The IUPAC name of methyl 8-hydroxy-2-nitro-6H-benzo[c]chromene-9-carboxylate (CID 146166880) is methyl 8-hydroxy-2-nitro-6H-benzo[c]chromene-9-carboxylate.
What is the SMILES notation for methyl 8-hydroxy-2-nitro-6H-benzo[c]chromene-9-carboxylate?
The canonical SMILES for methyl 8-hydroxy-2-nitro-6H-benzo[c]chromene-9-carboxylate is COC(=O)c1cc2c(cc1O)COc1ccc([N+](=O)[O-])cc1-2.
What is the InChIKey of methyl 8-hydroxy-2-nitro-6H-benzo[c]chromene-9-carboxylate?
The InChIKey is DHRMOEMDQVZACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO6/c1-21-15(18)12-6-10-8(4-13(12)17)7-22-14-3-2-9(16(19)20)5-11(10)14/h2-6,17H,7H2,1H3.
What are the key properties of methyl 8-hydroxy-2-nitro-6H-benzo[c]chromene-9-carboxylate?
methyl 8-hydroxy-2-nitro-6H-benzo[c]chromene-9-carboxylate has a molecular weight of 301.25 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-hydroxy-2-nitro-6H-benzo[c]chromene-9-carboxylate is sourced from PubChem (CID 146166880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).