1-(2-nitroethenyl)-3-phenoxybenzene

C14H11NO3 — CID 2732974

IUPAC1-(2-nitroethenyl)-3-phenoxybenzene
SMILESO=[N+]([O-])C=Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C14H11NO3/c16-15(17)10-9-12-5-4-8-14(11-12)18-13-6-2-1-3-7-13/h1-11H
InChIKeyHCABRSGOYONOEJ-UHFFFAOYSA-N
MW241.25 g/mol
LogP3.73
Rot. Bonds4

About 1-(2-nitroethenyl)-3-phenoxybenzene

1-(2-nitroethenyl)-3-phenoxybenzene (PubChem CID 2732974) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-(2-nitroethenyl)-3-phenoxybenzene.

Molecular Properties

Compound Name1-(2-nitroethenyl)-3-phenoxybenzene
PubChem CID2732974
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name1-(2-nitroethenyl)-3-phenoxybenzene
SMILESO=[N+]([O-])C=Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C14H11NO3/c16-15(17)10-9-12-5-4-8-14(11-12)18-13-6-2-1-3-7-13/h1-11H
InChIKeyHCABRSGOYONOEJ-UHFFFAOYSA-N
XLogP3.73
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 53.73
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-(2-nitroethenyl)-4-phenoxybenzene
CID 54104165
[(E)-2-nitroethenyl]benzene
CID 5284459
2-nitroethenylbenzene
CID 7626
1-ethoxy-3-(2-nitroethenyl)benzene
CID 76912992
ethane;1-[(E)-2-nitroethenyl]-4-phenoxybenzene;4-phenoxybenzaldehyde
CID 159823535
3-(2-nitroethenyl)benzaldehyde
CID 173163142
2-[[3-(2-nitroethenyl)phenoxy]methyl]pyridine
CID 66707738
1-[[3-(2-nitroethenyl)phenoxy]methyl]naphthalene
CID 887953
5-nitro-6-[2-(3-phenoxyphenyl)ethenyl]-1H-pyrimidine-2,4-dione
CID 2956513
1-[(E)-2-nitroethenyl]-3,5-bis(phenylmethoxy)benzene
CID 11792933
4-[(E)-2-(3-phenoxyphenyl)ethenyl]phenol
CID 11587340
1-[[3-(2-nitroethenyl)phenoxy]methyl]adamantane
CID 67520596

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitroethenyl)-3-phenoxybenzene?
The IUPAC name of 1-(2-nitroethenyl)-3-phenoxybenzene (CID 2732974) is 1-(2-nitroethenyl)-3-phenoxybenzene.
What is the SMILES notation for 1-(2-nitroethenyl)-3-phenoxybenzene?
The canonical SMILES for 1-(2-nitroethenyl)-3-phenoxybenzene is O=[N+]([O-])C=Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 1-(2-nitroethenyl)-3-phenoxybenzene?
The InChIKey is HCABRSGOYONOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c16-15(17)10-9-12-5-4-8-14(11-12)18-13-6-2-1-3-7-13/h1-11H.
What are the key properties of 1-(2-nitroethenyl)-3-phenoxybenzene?
1-(2-nitroethenyl)-3-phenoxybenzene has a molecular weight of 241.25 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitroethenyl)-3-phenoxybenzene is sourced from PubChem (CID 2732974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).