2-[(E)-3-(4-nitrophenyl)prop-2-enyl]-2-phenyl-1,3-dioxolane

C18H17NO4 — CID 19745114

IUPAC2-[(E)-3-(4-nitrophenyl)prop-2-enyl]-2-phenyl-1,3-dioxolane
SMILESO=[N+]([O-])c1ccc(/C=C/CC2(c3ccccc3)OCCO2)cc1
InChIInChI=1S/C18H17NO4/c20-19(21)17-10-8-15(9-11-17)5-4-12-18(22-13-14-23-18)16-6-2-1-3-7-16/h1-11H,12-14H2/b5-4+
InChIKeyAHXWTFVBVHYOPQ-SNAWJCMRSA-N
MW311.34 g/mol
LogP3.90
Rot. Bonds5

About 2-[(E)-3-(4-nitrophenyl)prop-2-enyl]-2-phenyl-1,3-dioxolane

2-[(E)-3-(4-nitrophenyl)prop-2-enyl]-2-phenyl-1,3-dioxolane (PubChem CID 19745114) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-[(E)-3-(4-nitrophenyl)prop-2-enyl]-2-phenyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[(E)-3-(4-nitrophenyl)prop-2-enyl]-2-phenyl-1,3-dioxolane
PubChem CID19745114
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name2-[(E)-3-(4-nitrophenyl)prop-2-enyl]-2-phenyl-1,3-dioxolane
SMILESO=[N+]([O-])c1ccc(/C=C/CC2(c3ccccc3)OCCO2)cc1
InChIInChI=1S/C18H17NO4/c20-19(21)17-10-8-15(9-11-17)5-4-12-18(22-13-14-23-18)16-6-2-1-3-7-16/h1-11H,12-14H2/b5-4+
InChIKeyAHXWTFVBVHYOPQ-SNAWJCMRSA-N
XLogP3.90
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.90
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

chloromethane;2-(chloromethyl)-2-(4-nitrophenyl)-1,3-dioxolane
CID 143933657
[(E)-3-(4-nitrophenyl)prop-2-enyl]-triphenylphosphanium
CID 19914868
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene
CID 6242844
1-nitro-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene
CID 6258529
1-[(E)-3-bromoprop-1-enyl]-4-nitrobenzene
CID 10444388
(E)-2-[(E)-5-(4-nitrophenyl)pent-4-enyl]-7-phenylhept-6-enoic acid
CID 11211546
trimethyl-[(E)-2-(4-nitrophenyl)ethenyl]silane
CID 13196779
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-[(E)-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]benzene
CID 122387900
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-(1,2,2-triphenylethenyl)benzene
CID 122387898
1-nitro-4-[[(E)-3-phenylprop-2-enoxy]methyl]benzene
CID 10858524
9,10-bis[(E)-2-(4-nitrophenyl)ethenyl]anthracene
CID 15074034
1-nitro-4-[(1E,3E,5E)-6-(4-nitrophenyl)hexa-1,3,5-trienyl]benzene
CID 6177872

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-(4-nitrophenyl)prop-2-enyl]-2-phenyl-1,3-dioxolane?
The IUPAC name of 2-[(E)-3-(4-nitrophenyl)prop-2-enyl]-2-phenyl-1,3-dioxolane (CID 19745114) is 2-[(E)-3-(4-nitrophenyl)prop-2-enyl]-2-phenyl-1,3-dioxolane.
What is the SMILES notation for 2-[(E)-3-(4-nitrophenyl)prop-2-enyl]-2-phenyl-1,3-dioxolane?
The canonical SMILES for 2-[(E)-3-(4-nitrophenyl)prop-2-enyl]-2-phenyl-1,3-dioxolane is O=[N+]([O-])c1ccc(/C=C/CC2(c3ccccc3)OCCO2)cc1.
What is the InChIKey of 2-[(E)-3-(4-nitrophenyl)prop-2-enyl]-2-phenyl-1,3-dioxolane?
The InChIKey is AHXWTFVBVHYOPQ-SNAWJCMRSA-N. The full InChI is InChI=1S/C18H17NO4/c20-19(21)17-10-8-15(9-11-17)5-4-12-18(22-13-14-23-18)16-6-2-1-3-7-16/h1-11H,12-14H2/b5-4+.
What are the key properties of 2-[(E)-3-(4-nitrophenyl)prop-2-enyl]-2-phenyl-1,3-dioxolane?
2-[(E)-3-(4-nitrophenyl)prop-2-enyl]-2-phenyl-1,3-dioxolane has a molecular weight of 311.34 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-(4-nitrophenyl)prop-2-enyl]-2-phenyl-1,3-dioxolane is sourced from PubChem (CID 19745114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).