6-(3-nitrophenyl)-4-phenyl-3,6-dihydro-2H-pyran

C17H15NO3 — CID 135015738

IUPAC6-(3-nitrophenyl)-4-phenyl-3,6-dihydro-2H-pyran
SMILESO=[N+]([O-])c1cccc(C2C=C(c3ccccc3)CCO2)c1
InChIInChI=1S/C17H15NO3/c19-18(20)16-8-4-7-15(11-16)17-12-14(9-10-21-17)13-5-2-1-3-6-13/h1-8,11-12,17H,9-10H2
InChIKeyZGGVFYWEEMPDPJ-UHFFFAOYSA-N
MW281.31 g/mol
LogP4.14
Rot. Bonds3

About 6-(3-nitrophenyl)-4-phenyl-3,6-dihydro-2H-pyran

6-(3-nitrophenyl)-4-phenyl-3,6-dihydro-2H-pyran (PubChem CID 135015738) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 6-(3-nitrophenyl)-4-phenyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name6-(3-nitrophenyl)-4-phenyl-3,6-dihydro-2H-pyran
PubChem CID135015738
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name6-(3-nitrophenyl)-4-phenyl-3,6-dihydro-2H-pyran
SMILESO=[N+]([O-])c1cccc(C2C=C(c3ccccc3)CCO2)c1
InChIInChI=1S/C17H15NO3/c19-18(20)16-8-4-7-15(11-16)17-12-14(9-10-21-17)13-5-2-1-3-6-13/h1-8,11-12,17H,9-10H2
InChIKeyZGGVFYWEEMPDPJ-UHFFFAOYSA-N
XLogP4.14
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 54.14
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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Related Compounds

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1-[(1R,2S)-2-methyl-2-phenylcyclopropyl]-3-nitrobenzene
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2-(3-nitrophenyl)oxolane-3-carboxylic acid
CID 79368403
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CID 141349380
(2S,4R)-4-methyl-2-(3-nitrophenyl)-1,3-dioxane
CID 786807
3-(3-nitrophenyl)-(1,2-15N2)3H-diazirine
CID 164713943
(3-nitrophenyl)cycloheptane
CID 142001294
(2S,4S)-2-(3-nitrophenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline
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CID 10089760

Frequently Asked Questions

What is the IUPAC name of 6-(3-nitrophenyl)-4-phenyl-3,6-dihydro-2H-pyran?
The IUPAC name of 6-(3-nitrophenyl)-4-phenyl-3,6-dihydro-2H-pyran (CID 135015738) is 6-(3-nitrophenyl)-4-phenyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 6-(3-nitrophenyl)-4-phenyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 6-(3-nitrophenyl)-4-phenyl-3,6-dihydro-2H-pyran is O=[N+]([O-])c1cccc(C2C=C(c3ccccc3)CCO2)c1.
What is the InChIKey of 6-(3-nitrophenyl)-4-phenyl-3,6-dihydro-2H-pyran?
The InChIKey is ZGGVFYWEEMPDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-18(20)16-8-4-7-15(11-16)17-12-14(9-10-21-17)13-5-2-1-3-6-13/h1-8,11-12,17H,9-10H2.
What are the key properties of 6-(3-nitrophenyl)-4-phenyl-3,6-dihydro-2H-pyran?
6-(3-nitrophenyl)-4-phenyl-3,6-dihydro-2H-pyran has a molecular weight of 281.31 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-nitrophenyl)-4-phenyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 135015738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).