[4-[(Z)-3-phenylprop-2-enyl]phenyl] nitrate

C15H13NO3 — CID 69019265

IUPAC[4-[(Z)-3-phenylprop-2-enyl]phenyl] nitrate
SMILESO=[N+]([O-])Oc1ccc(C/C=C\c2ccccc2)cc1
InChIInChI=1S/C15H13NO3/c17-16(18)19-15-11-9-14(10-12-15)8-4-7-13-5-2-1-3-6-13/h1-7,9-12H,8H2/b7-4-
InChIKeyRTGXSDBTELKIFF-DAXSKMNVSA-N
MW255.27 g/mol
LogP3.51
Rot. Bonds5

About [4-[(Z)-3-phenylprop-2-enyl]phenyl] nitrate

[4-[(Z)-3-phenylprop-2-enyl]phenyl] nitrate (PubChem CID 69019265) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is [4-[(Z)-3-phenylprop-2-enyl]phenyl] nitrate.

Molecular Properties

Compound Name[4-[(Z)-3-phenylprop-2-enyl]phenyl] nitrate
PubChem CID69019265
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name[4-[(Z)-3-phenylprop-2-enyl]phenyl] nitrate
SMILESO=[N+]([O-])Oc1ccc(C/C=C\c2ccccc2)cc1
InChIInChI=1S/C15H13NO3/c17-16(18)19-15-11-9-14(10-12-15)8-4-7-13-5-2-1-3-6-13/h1-7,9-12H,8H2/b7-4-
InChIKeyRTGXSDBTELKIFF-DAXSKMNVSA-N
XLogP3.51
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 53.51
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

3-phenylprop-1-enylbenzene;tetrahydrofluoride
CID 174822249
ethane;[(E)-3-phenylprop-1-enyl]benzene
CID 143041114
phenyl nitrate;hydrate
CID 175136027
1-nitro-3-[(Z)-3-phenylprop-1-enyl]benzene
CID 56955352
1-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 10800947
2-hydroxy-3-[4-(3-phenylprop-2-enyl)phenyl]propanamide
CID 70086385
1-nitro-4-[[(E)-3-phenylprop-2-enoxy]methyl]benzene
CID 10858524
[(E)-4-methyl-4-nitropent-1-enyl]benzene
CID 12811933
1-[4-[(E)-3-phenylprop-1-enyl]phenyl]ethanone
CID 10633570
[4-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]phenyl] acetate
CID 166013014
1,2-dichloro-4-[(E)-3-phenylprop-2-enyl]benzene
CID 70518240
1-tert-butyl-4-(3-phenylprop-1-enyl)benzene
CID 71390379

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-3-phenylprop-2-enyl]phenyl] nitrate?
The IUPAC name of [4-[(Z)-3-phenylprop-2-enyl]phenyl] nitrate (CID 69019265) is [4-[(Z)-3-phenylprop-2-enyl]phenyl] nitrate.
What is the SMILES notation for [4-[(Z)-3-phenylprop-2-enyl]phenyl] nitrate?
The canonical SMILES for [4-[(Z)-3-phenylprop-2-enyl]phenyl] nitrate is O=[N+]([O-])Oc1ccc(C/C=C\c2ccccc2)cc1.
What is the InChIKey of [4-[(Z)-3-phenylprop-2-enyl]phenyl] nitrate?
The InChIKey is RTGXSDBTELKIFF-DAXSKMNVSA-N. The full InChI is InChI=1S/C15H13NO3/c17-16(18)19-15-11-9-14(10-12-15)8-4-7-13-5-2-1-3-6-13/h1-7,9-12H,8H2/b7-4-.
What are the key properties of [4-[(Z)-3-phenylprop-2-enyl]phenyl] nitrate?
[4-[(Z)-3-phenylprop-2-enyl]phenyl] nitrate has a molecular weight of 255.27 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-3-phenylprop-2-enyl]phenyl] nitrate is sourced from PubChem (CID 69019265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).