1-chloro-3-[(E)-2-(4-nitrophenyl)ethenyl]benzene

C14H10ClNO2 — CID 6440392

IUPAC1-chloro-3-[(E)-2-(4-nitrophenyl)ethenyl]benzene
SMILESO=[N+]([O-])c1ccc(/C=C/c2cccc(Cl)c2)cc1
InChIInChI=1S/C14H10ClNO2/c15-13-3-1-2-12(10-13)5-4-11-6-8-14(9-7-11)16(17)18/h1-10H/b5-4+
InChIKeyREQIUGALNFLDSJ-SNAWJCMRSA-N
MW259.69 g/mol
LogP4.42
Rot. Bonds3

About 1-chloro-3-[(E)-2-(4-nitrophenyl)ethenyl]benzene

1-chloro-3-[(E)-2-(4-nitrophenyl)ethenyl]benzene (PubChem CID 6440392) has the molecular formula C14H10ClNO2 and a molecular weight of 259.69 g/mol. Its IUPAC name is 1-chloro-3-[(E)-2-(4-nitrophenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-chloro-3-[(E)-2-(4-nitrophenyl)ethenyl]benzene
PubChem CID6440392
Molecular FormulaC14H10ClNO2
Molecular Weight259.69 g/mol
Exact Mass259.04
IUPAC Name1-chloro-3-[(E)-2-(4-nitrophenyl)ethenyl]benzene
SMILESO=[N+]([O-])c1ccc(/C=C/c2cccc(Cl)c2)cc1
InChIInChI=1S/C14H10ClNO2/c15-13-3-1-2-12(10-13)5-4-11-6-8-14(9-7-11)16(17)18/h1-10H/b5-4+
InChIKeyREQIUGALNFLDSJ-SNAWJCMRSA-N
XLogP4.42
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 54.42
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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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[(E)-2-(4-nitrophenyl)ethenyl]benzene?
The IUPAC name of 1-chloro-3-[(E)-2-(4-nitrophenyl)ethenyl]benzene (CID 6440392) is 1-chloro-3-[(E)-2-(4-nitrophenyl)ethenyl]benzene.
What is the SMILES notation for 1-chloro-3-[(E)-2-(4-nitrophenyl)ethenyl]benzene?
The canonical SMILES for 1-chloro-3-[(E)-2-(4-nitrophenyl)ethenyl]benzene is O=[N+]([O-])c1ccc(/C=C/c2cccc(Cl)c2)cc1.
What is the InChIKey of 1-chloro-3-[(E)-2-(4-nitrophenyl)ethenyl]benzene?
The InChIKey is REQIUGALNFLDSJ-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H10ClNO2/c15-13-3-1-2-12(10-13)5-4-11-6-8-14(9-7-11)16(17)18/h1-10H/b5-4+.
What are the key properties of 1-chloro-3-[(E)-2-(4-nitrophenyl)ethenyl]benzene?
1-chloro-3-[(E)-2-(4-nitrophenyl)ethenyl]benzene has a molecular weight of 259.69 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[(E)-2-(4-nitrophenyl)ethenyl]benzene is sourced from PubChem (CID 6440392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).