2-nitro-4-[(E)-2-phenylethenyl]-1-propylbenzene

C17H17NO2 — CID 155679320

IUPAC2-nitro-4-[(E)-2-phenylethenyl]-1-propylbenzene
SMILESCCCc1ccc(/C=C/c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C17H17NO2/c1-2-6-16-12-11-15(13-17(16)18(19)20)10-9-14-7-4-3-5-8-14/h3-5,7-13H,2,6H2,1H3/b10-9+
InChIKeyUKMJBBLVQRDGGZ-MDZDMXLPSA-N
MW267.33 g/mol
LogP4.72
Rot. Bonds5

About 2-nitro-4-[(E)-2-phenylethenyl]-1-propylbenzene

2-nitro-4-[(E)-2-phenylethenyl]-1-propylbenzene (PubChem CID 155679320) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-nitro-4-[(E)-2-phenylethenyl]-1-propylbenzene.

Molecular Properties

Compound Name2-nitro-4-[(E)-2-phenylethenyl]-1-propylbenzene
PubChem CID155679320
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name2-nitro-4-[(E)-2-phenylethenyl]-1-propylbenzene
SMILESCCCc1ccc(/C=C/c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C17H17NO2/c1-2-6-16-12-11-15(13-17(16)18(19)20)10-9-14-7-4-3-5-8-14/h3-5,7-13H,2,6H2,1H3/b10-9+
InChIKeyUKMJBBLVQRDGGZ-MDZDMXLPSA-N
XLogP4.72
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-nitro-4-[(E)-2-phenylethenyl]benzene
CID 101353139
(3-nitro-4-propylphenyl)carbamic acid
CID 67247767
2-nitro-1-propyl-4-(trifluoromethyl)benzene
CID 20760273
methyl 2-nitro-5-[(E)-2-phenylethenyl]benzoate
CID 5383028
2-[(E)-2-(4-ethyl-3-nitrophenyl)ethenyl]benzo[e][1,3]benzothiazole
CID 7966836
3-[4-(hydroxymethyl)-3-nitrophenyl]prop-2-en-1-ol
CID 169453917
4-[2-(3,4-dinitrophenyl)ethenyl]-N-heptylaniline
CID 88517520
2-(4-formyl-2-nitrophenyl)acetic acid
CID 22931275
(E)-3-(4-ethyl-3-nitrophenyl)-1-(4-nitrophenyl)prop-2-en-1-one
CID 7946272
(E)-1-(1-benzofuran-2-yl)-3-(4-ethyl-3-nitrophenyl)prop-2-en-1-one
CID 7947961
[4-[2-(2-nitrophenyl)ethenyl]phenyl] acetate
CID 66627035
1-chloro-2,4-dinitro-5-propylbenzene
CID 58056273

Frequently Asked Questions

What is the IUPAC name of 2-nitro-4-[(E)-2-phenylethenyl]-1-propylbenzene?
The IUPAC name of 2-nitro-4-[(E)-2-phenylethenyl]-1-propylbenzene (CID 155679320) is 2-nitro-4-[(E)-2-phenylethenyl]-1-propylbenzene.
What is the SMILES notation for 2-nitro-4-[(E)-2-phenylethenyl]-1-propylbenzene?
The canonical SMILES for 2-nitro-4-[(E)-2-phenylethenyl]-1-propylbenzene is CCCc1ccc(/C=C/c2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-4-[(E)-2-phenylethenyl]-1-propylbenzene?
The InChIKey is UKMJBBLVQRDGGZ-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H17NO2/c1-2-6-16-12-11-15(13-17(16)18(19)20)10-9-14-7-4-3-5-8-14/h3-5,7-13H,2,6H2,1H3/b10-9+.
What are the key properties of 2-nitro-4-[(E)-2-phenylethenyl]-1-propylbenzene?
2-nitro-4-[(E)-2-phenylethenyl]-1-propylbenzene has a molecular weight of 267.33 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-4-[(E)-2-phenylethenyl]-1-propylbenzene is sourced from PubChem (CID 155679320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).