1-[1-(4-methoxyphenyl)ethenyl]-4-nitrobenzene

C15H13NO3 — CID 14961617

IUPAC1-[1-(4-methoxyphenyl)ethenyl]-4-nitrobenzene
SMILESC=C(c1ccc(OC)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H13NO3/c1-11(13-5-9-15(19-2)10-6-13)12-3-7-14(8-4-12)16(17)18/h3-10H,1H2,2H3
InChIKeyHDXDUVASPAOWCD-UHFFFAOYSA-N
MW255.27 g/mol
LogP3.66
Rot. Bonds4

About 1-[1-(4-methoxyphenyl)ethenyl]-4-nitrobenzene

1-[1-(4-methoxyphenyl)ethenyl]-4-nitrobenzene (PubChem CID 14961617) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)ethenyl]-4-nitrobenzene.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)ethenyl]-4-nitrobenzene
PubChem CID14961617
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name1-[1-(4-methoxyphenyl)ethenyl]-4-nitrobenzene
SMILESC=C(c1ccc(OC)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H13NO3/c1-11(13-5-9-15(19-2)10-6-13)12-3-7-14(8-4-12)16(17)18/h3-10H,1H2,2H3
InChIKeyHDXDUVASPAOWCD-UHFFFAOYSA-N
XLogP3.66
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 53.66
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

1-chloroethanol;1-methoxy-4-nitrobenzene
CID 145362894
1-methoxy-4-[3-(4-nitrophenyl)sulfinylprop-1-en-2-yl]benzene
CID 10757843
[4-(4-methoxybenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 1147872
N-(4-methoxyphenyl)-4-nitrobenzamide
CID 532159
1-nitro-4-[1-(4-octoxyphenyl)ethenyl]benzene
CID 19835485
1-methoxy-4-[4-[1-[4-(4-methoxyphenoxy)phenyl]ethenyl]phenoxy]benzene
CID 21292587
(2Z,4E)-3-(4-methoxyphenyl)-5-(4-nitrophenyl)penta-2,4-dienal
CID 121374011
N-[bis(4-methoxyphenyl)methylideneamino]-4-nitroaniline
CID 2836812
(4-methoxyphenyl)-(4-nitrophenyl)imino-oxidoazanium
CID 15151138
N-[(4-methoxyphenyl)methyl]-N-methyl-4-nitrobenzamide
CID 7925766
2,2,2-trifluoro-1-(4-methoxyphenyl)-N-(4-nitrophenyl)ethanimine
CID 177478664
1-(4-methoxyphenyl)-3-(4-nitrophenyl)thiourea
CID 13237599

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)ethenyl]-4-nitrobenzene?
The IUPAC name of 1-[1-(4-methoxyphenyl)ethenyl]-4-nitrobenzene (CID 14961617) is 1-[1-(4-methoxyphenyl)ethenyl]-4-nitrobenzene.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)ethenyl]-4-nitrobenzene?
The canonical SMILES for 1-[1-(4-methoxyphenyl)ethenyl]-4-nitrobenzene is C=C(c1ccc(OC)cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)ethenyl]-4-nitrobenzene?
The InChIKey is HDXDUVASPAOWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-11(13-5-9-15(19-2)10-6-13)12-3-7-14(8-4-12)16(17)18/h3-10H,1H2,2H3.
What are the key properties of 1-[1-(4-methoxyphenyl)ethenyl]-4-nitrobenzene?
1-[1-(4-methoxyphenyl)ethenyl]-4-nitrobenzene has a molecular weight of 255.27 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)ethenyl]-4-nitrobenzene is sourced from PubChem (CID 14961617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).