1-[1-(4-methoxyphenoxy)prop-2-enyl]-4-nitrobenzene

C16H15NO4 — CID 132506412

IUPAC1-[1-(4-methoxyphenoxy)prop-2-enyl]-4-nitrobenzene
SMILESC=CC(Oc1ccc(OC)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H15NO4/c1-3-16(12-4-6-13(7-5-12)17(18)19)21-15-10-8-14(20-2)9-11-15/h3-11,16H,1H2,2H3
InChIKeyXFZHXZAKLCQNRW-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.91
Rot. Bonds6

About 1-[1-(4-methoxyphenoxy)prop-2-enyl]-4-nitrobenzene

1-[1-(4-methoxyphenoxy)prop-2-enyl]-4-nitrobenzene (PubChem CID 132506412) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenoxy)prop-2-enyl]-4-nitrobenzene.

Molecular Properties

Compound Name1-[1-(4-methoxyphenoxy)prop-2-enyl]-4-nitrobenzene
PubChem CID132506412
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name1-[1-(4-methoxyphenoxy)prop-2-enyl]-4-nitrobenzene
SMILESC=CC(Oc1ccc(OC)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H15NO4/c1-3-16(12-4-6-13(7-5-12)17(18)19)21-15-10-8-14(20-2)9-11-15/h3-11,16H,1H2,2H3
InChIKeyXFZHXZAKLCQNRW-UHFFFAOYSA-N
XLogP3.91
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-[1-(4-nitrophenoxy)prop-2-enyl]silane
CID 154086636
1-methoxy-4-(1-methoxyprop-2-enyl)benzene
CID 14594939
1-chloroethanol;1-methoxy-4-nitrobenzene
CID 145362894
1-[(4-methoxyphenyl)-(4-nitrophenyl)methyl]piperidine
CID 135002955
2-(4-ethylsulfonylphenyl)-2-(4-nitrophenoxy)acetaldehyde
CID 145181227
bis(ethenyl)-[1-(4-nitrophenoxy)ethyl]silane
CID 154117111
4-methoxy-N-[(1R)-1-(4-nitrophenyl)ethyl]aniline
CID 101388869
1-hex-1-en-3-yloxy-4-nitrobenzene
CID 58105900
1-[1-(4-methoxyphenyl)ethenyl]-4-nitrobenzene
CID 14961617
1-[2-bromo-2-(4-methoxyphenyl)ethyl]-4-nitrobenzene
CID 63017817
1-benzhydryloxy-4-nitrobenzene
CID 7434051
(1R)-1-(4-methoxyphenyl)-N-[(4-nitrophenyl)methyl]ethanamine
CID 81367242

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenoxy)prop-2-enyl]-4-nitrobenzene?
The IUPAC name of 1-[1-(4-methoxyphenoxy)prop-2-enyl]-4-nitrobenzene (CID 132506412) is 1-[1-(4-methoxyphenoxy)prop-2-enyl]-4-nitrobenzene.
What is the SMILES notation for 1-[1-(4-methoxyphenoxy)prop-2-enyl]-4-nitrobenzene?
The canonical SMILES for 1-[1-(4-methoxyphenoxy)prop-2-enyl]-4-nitrobenzene is C=CC(Oc1ccc(OC)cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-[1-(4-methoxyphenoxy)prop-2-enyl]-4-nitrobenzene?
The InChIKey is XFZHXZAKLCQNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-3-16(12-4-6-13(7-5-12)17(18)19)21-15-10-8-14(20-2)9-11-15/h3-11,16H,1H2,2H3.
What are the key properties of 1-[1-(4-methoxyphenoxy)prop-2-enyl]-4-nitrobenzene?
1-[1-(4-methoxyphenoxy)prop-2-enyl]-4-nitrobenzene has a molecular weight of 285.30 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenoxy)prop-2-enyl]-4-nitrobenzene is sourced from PubChem (CID 132506412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).