(2R)-3-nitro-2-phenyl-2H-chromene

C15H11NO3 — CID 672286

IUPAC(2R)-3-nitro-2-phenyl-2H-chromene
SMILESO=[N+]([O-])C1=Cc2ccccc2O[C@@H]1c1ccccc1
InChIInChI=1S/C15H11NO3/c17-16(18)13-10-12-8-4-5-9-14(12)19-15(13)11-6-2-1-3-7-11/h1-10,15H/t15-/m1/s1
InChIKeyULXCGRAUCRLSRG-OAHLLOKOSA-N
MW253.26 g/mol
LogP3.44
Rot. Bonds2

About (2R)-3-nitro-2-phenyl-2H-chromene

(2R)-3-nitro-2-phenyl-2H-chromene (PubChem CID 672286) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is (2R)-3-nitro-2-phenyl-2H-chromene.

Molecular Properties

Compound Name(2R)-3-nitro-2-phenyl-2H-chromene
PubChem CID672286
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name(2R)-3-nitro-2-phenyl-2H-chromene
SMILESO=[N+]([O-])C1=Cc2ccccc2O[C@@H]1c1ccccc1
InChIInChI=1S/C15H11NO3/c17-16(18)13-10-12-8-4-5-9-14(12)19-15(13)11-6-2-1-3-7-11/h1-10,15H/t15-/m1/s1
InChIKeyULXCGRAUCRLSRG-OAHLLOKOSA-N
XLogP3.44
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (2R)-3-nitro-2-phenyl-2H-chromene?
The IUPAC name of (2R)-3-nitro-2-phenyl-2H-chromene (CID 672286) is (2R)-3-nitro-2-phenyl-2H-chromene.
What is the SMILES notation for (2R)-3-nitro-2-phenyl-2H-chromene?
The canonical SMILES for (2R)-3-nitro-2-phenyl-2H-chromene is O=[N+]([O-])C1=Cc2ccccc2O[C@@H]1c1ccccc1.
What is the InChIKey of (2R)-3-nitro-2-phenyl-2H-chromene?
The InChIKey is ULXCGRAUCRLSRG-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H11NO3/c17-16(18)13-10-12-8-4-5-9-14(12)19-15(13)11-6-2-1-3-7-11/h1-10,15H/t15-/m1/s1.
What are the key properties of (2R)-3-nitro-2-phenyl-2H-chromene?
(2R)-3-nitro-2-phenyl-2H-chromene has a molecular weight of 253.26 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-nitro-2-phenyl-2H-chromene is sourced from PubChem (CID 672286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).