2-(2-chlorophenyl)-5,7-dihydroxy-8-nitrochromen-4-one

C15H8ClNO6 — CID 5314946

IUPAC2-(2-chlorophenyl)-5,7-dihydroxy-8-nitrochromen-4-one
SMILESO=c1cc(-c2ccccc2Cl)oc2c([N+](=O)[O-])c(O)cc(O)c12
InChIInChI=1S/C15H8ClNO6/c16-8-4-2-1-3-7(8)12-6-10(19)13-9(18)5-11(20)14(17(21)22)15(13)23-12/h1-6,18,20H
InChIKeyMFUAYZDJJDSJNG-UHFFFAOYSA-N
MW333.68 g/mol
LogP3.43
Rot. Bonds2

About 2-(2-chlorophenyl)-5,7-dihydroxy-8-nitrochromen-4-one

2-(2-chlorophenyl)-5,7-dihydroxy-8-nitrochromen-4-one (PubChem CID 5314946) has the molecular formula C15H8ClNO6 and a molecular weight of 333.68 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5,7-dihydroxy-8-nitrochromen-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5,7-dihydroxy-8-nitrochromen-4-one
PubChem CID5314946
Molecular FormulaC15H8ClNO6
Molecular Weight333.68 g/mol
Exact Mass333.00
IUPAC Name2-(2-chlorophenyl)-5,7-dihydroxy-8-nitrochromen-4-one
SMILESO=c1cc(-c2ccccc2Cl)oc2c([N+](=O)[O-])c(O)cc(O)c12
InChIInChI=1S/C15H8ClNO6/c16-8-4-2-1-3-7(8)12-6-10(19)13-9(18)5-11(20)14(17(21)22)15(13)23-12/h1-6,18,20H
InChIKeyMFUAYZDJJDSJNG-UHFFFAOYSA-N
XLogP3.43
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.68
LogP ≤ 53.43
H-Bond Donors ≤ 52
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 2-(2-chlorophenyl)-5,7-dihydroxy-8-nitrochromen-4-one?
The IUPAC name of 2-(2-chlorophenyl)-5,7-dihydroxy-8-nitrochromen-4-one (CID 5314946) is 2-(2-chlorophenyl)-5,7-dihydroxy-8-nitrochromen-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)-5,7-dihydroxy-8-nitrochromen-4-one?
The canonical SMILES for 2-(2-chlorophenyl)-5,7-dihydroxy-8-nitrochromen-4-one is O=c1cc(-c2ccccc2Cl)oc2c([N+](=O)[O-])c(O)cc(O)c12.
What is the InChIKey of 2-(2-chlorophenyl)-5,7-dihydroxy-8-nitrochromen-4-one?
The InChIKey is MFUAYZDJJDSJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClNO6/c16-8-4-2-1-3-7(8)12-6-10(19)13-9(18)5-11(20)14(17(21)22)15(13)23-12/h1-6,18,20H.
What are the key properties of 2-(2-chlorophenyl)-5,7-dihydroxy-8-nitrochromen-4-one?
2-(2-chlorophenyl)-5,7-dihydroxy-8-nitrochromen-4-one has a molecular weight of 333.68 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5,7-dihydroxy-8-nitrochromen-4-one is sourced from PubChem (CID 5314946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).