(2R)-6-methoxy-3-nitro-2-phenyl-2H-chromene

C16H13NO4 — CID 38988251

IUPAC(2R)-6-methoxy-3-nitro-2-phenyl-2H-chromene
SMILESCOc1ccc2c(c1)C=C([N+](=O)[O-])[C@@H](c1ccccc1)O2
InChIInChI=1S/C16H13NO4/c1-20-13-7-8-15-12(9-13)10-14(17(18)19)16(21-15)11-5-3-2-4-6-11/h2-10,16H,1H3/t16-/m1/s1
InChIKeyBYTMTVAVPIPXIT-MRXNPFEDSA-N
MW283.28 g/mol
LogP3.45
Rot. Bonds3

About (2R)-6-methoxy-3-nitro-2-phenyl-2H-chromene

(2R)-6-methoxy-3-nitro-2-phenyl-2H-chromene (PubChem CID 38988251) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is (2R)-6-methoxy-3-nitro-2-phenyl-2H-chromene.

Molecular Properties

Compound Name(2R)-6-methoxy-3-nitro-2-phenyl-2H-chromene
PubChem CID38988251
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name(2R)-6-methoxy-3-nitro-2-phenyl-2H-chromene
SMILESCOc1ccc2c(c1)C=C([N+](=O)[O-])[C@@H](c1ccccc1)O2
InChIInChI=1S/C16H13NO4/c1-20-13-7-8-15-12(9-13)10-14(17(18)19)16(21-15)11-5-3-2-4-6-11/h2-10,16H,1H3/t16-/m1/s1
InChIKeyBYTMTVAVPIPXIT-MRXNPFEDSA-N
XLogP3.45
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)-6-methoxy-3-nitro-2-phenyl-2H-chromene?
The IUPAC name of (2R)-6-methoxy-3-nitro-2-phenyl-2H-chromene (CID 38988251) is (2R)-6-methoxy-3-nitro-2-phenyl-2H-chromene.
What is the SMILES notation for (2R)-6-methoxy-3-nitro-2-phenyl-2H-chromene?
The canonical SMILES for (2R)-6-methoxy-3-nitro-2-phenyl-2H-chromene is COc1ccc2c(c1)C=C([N+](=O)[O-])[C@@H](c1ccccc1)O2.
What is the InChIKey of (2R)-6-methoxy-3-nitro-2-phenyl-2H-chromene?
The InChIKey is BYTMTVAVPIPXIT-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H13NO4/c1-20-13-7-8-15-12(9-13)10-14(17(18)19)16(21-15)11-5-3-2-4-6-11/h2-10,16H,1H3/t16-/m1/s1.
What are the key properties of (2R)-6-methoxy-3-nitro-2-phenyl-2H-chromene?
(2R)-6-methoxy-3-nitro-2-phenyl-2H-chromene has a molecular weight of 283.28 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-methoxy-3-nitro-2-phenyl-2H-chromene is sourced from PubChem (CID 38988251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).