(2R,4R)-4-(4-nitrophenoxy)-2-phenyl-3,4-dihydro-2H-chromene

C21H17NO4 — CID 71407648

IUPAC(2R,4R)-4-(4-nitrophenoxy)-2-phenyl-3,4-dihydro-2H-chromene
SMILESO=[N+]([O-])c1ccc(O[C@@H]2C[C@H](c3ccccc3)Oc3ccccc32)cc1
InChIInChI=1S/C21H17NO4/c23-22(24)16-10-12-17(13-11-16)25-21-14-20(15-6-2-1-3-7-15)26-19-9-5-4-8-18(19)21/h1-13,20-21H,14H2/t20-,21-/m1/s1
InChIKeyDMNFBMODOFLZMW-NHCUHLMSSA-N
MW347.37 g/mol
LogP5.24
Rot. Bonds4

About (2R,4R)-4-(4-nitrophenoxy)-2-phenyl-3,4-dihydro-2H-chromene

(2R,4R)-4-(4-nitrophenoxy)-2-phenyl-3,4-dihydro-2H-chromene (PubChem CID 71407648) has the molecular formula C21H17NO4 and a molecular weight of 347.37 g/mol. Its IUPAC name is (2R,4R)-4-(4-nitrophenoxy)-2-phenyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(2R,4R)-4-(4-nitrophenoxy)-2-phenyl-3,4-dihydro-2H-chromene
PubChem CID71407648
Molecular FormulaC21H17NO4
Molecular Weight347.37 g/mol
Exact Mass347.12
IUPAC Name(2R,4R)-4-(4-nitrophenoxy)-2-phenyl-3,4-dihydro-2H-chromene
SMILESO=[N+]([O-])c1ccc(O[C@@H]2C[C@H](c3ccccc3)Oc3ccccc32)cc1
InChIInChI=1S/C21H17NO4/c23-22(24)16-10-12-17(13-11-16)25-21-14-20(15-6-2-1-3-7-15)26-19-9-5-4-8-18(19)21/h1-13,20-21H,14H2/t20-,21-/m1/s1
InChIKeyDMNFBMODOFLZMW-NHCUHLMSSA-N
XLogP5.24
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.37
LogP ≤ 55.24
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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Related Compounds

(2R,4S,6S)-2,4-bis(4-nitrophenyl)-6-phenyl-1,3-dioxane
CID 100817075
(15R)-15-(4-nitrophenoxy)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
CID 10665069
(2S,3S,4S)-3-[(4-nitrophenyl)methyl]-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 15427639
9-(4-nitrophenoxy)-9H-fluorene
CID 7892468
(4R,6R)-4-(4-nitrophenyl)-2,6-diphenyl-5,6-dihydro-4H-1,3-oxazine
CID 71444866
(2S,4R)-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 6923720
(2R,4R)-4-methyl-2-phenyl-3,4-dihydro-2H-chromene
CID 100969448
(2R,4S)-4-bromo-2-phenyl-3,4-dihydro-2H-chromene
CID 71443708
(2R,4S)-2-phenyl-3,4-dihydro-2H-chromene-4-carbonitrile
CID 62707492
1-nitro-4-[(1R,2R)-2-phenylcyclopropyl]benzene
CID 15891688
2-(4-nitrophenyl)-1,3-benzodioxole
CID 53305093
(2S,4R)-4-(4-nitrophenyl)-2,6-diphenyl-3,4-dihydro-2H-pyran-5-carbonitrile
CID 101117497

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-(4-nitrophenoxy)-2-phenyl-3,4-dihydro-2H-chromene?
The IUPAC name of (2R,4R)-4-(4-nitrophenoxy)-2-phenyl-3,4-dihydro-2H-chromene (CID 71407648) is (2R,4R)-4-(4-nitrophenoxy)-2-phenyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for (2R,4R)-4-(4-nitrophenoxy)-2-phenyl-3,4-dihydro-2H-chromene?
The canonical SMILES for (2R,4R)-4-(4-nitrophenoxy)-2-phenyl-3,4-dihydro-2H-chromene is O=[N+]([O-])c1ccc(O[C@@H]2C[C@H](c3ccccc3)Oc3ccccc32)cc1.
What is the InChIKey of (2R,4R)-4-(4-nitrophenoxy)-2-phenyl-3,4-dihydro-2H-chromene?
The InChIKey is DMNFBMODOFLZMW-NHCUHLMSSA-N. The full InChI is InChI=1S/C21H17NO4/c23-22(24)16-10-12-17(13-11-16)25-21-14-20(15-6-2-1-3-7-15)26-19-9-5-4-8-18(19)21/h1-13,20-21H,14H2/t20-,21-/m1/s1.
What are the key properties of (2R,4R)-4-(4-nitrophenoxy)-2-phenyl-3,4-dihydro-2H-chromene?
(2R,4R)-4-(4-nitrophenoxy)-2-phenyl-3,4-dihydro-2H-chromene has a molecular weight of 347.37 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-(4-nitrophenoxy)-2-phenyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 71407648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).