1-chloro-4-[1-(2-isocyanophenyl)ethenyl]benzene

C15H10ClN — CID 164673172

IUPAC1-chloro-4-[1-(2-isocyanophenyl)ethenyl]benzene
SMILES[C-]#[N+]c1ccccc1C(=C)c1ccc(Cl)cc1
InChIInChI=1S/C15H10ClN/c1-11(12-7-9-13(16)10-8-12)14-5-3-4-6-15(14)17-2/h3-10H,1H2
InChIKeyYTHNUXOXFUWGAX-UHFFFAOYSA-N
MW239.70 g/mol
LogP4.95
Rot. Bonds2

About 1-chloro-4-[1-(2-isocyanophenyl)ethenyl]benzene

1-chloro-4-[1-(2-isocyanophenyl)ethenyl]benzene (PubChem CID 164673172) has the molecular formula C15H10ClN and a molecular weight of 239.70 g/mol. Its IUPAC name is 1-chloro-4-[1-(2-isocyanophenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[1-(2-isocyanophenyl)ethenyl]benzene
PubChem CID164673172
Molecular FormulaC15H10ClN
Molecular Weight239.70 g/mol
Exact Mass239.05
IUPAC Name1-chloro-4-[1-(2-isocyanophenyl)ethenyl]benzene
SMILES[C-]#[N+]c1ccccc1C(=C)c1ccc(Cl)cc1
InChIInChI=1S/C15H10ClN/c1-11(12-7-9-13(16)10-8-12)14-5-3-4-6-15(14)17-2/h3-10H,1H2
InChIKeyYTHNUXOXFUWGAX-UHFFFAOYSA-N
XLogP4.95
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 1-chloro-4-[1-(2-isocyanophenyl)ethenyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(4-chlorophenyl)ethenyl]-N-phenylbenzamide
CID 154711016
1-chloro-4-[1-(4-chlorophenyl)ethenyl]benzene;pentane
CID 143850476
1-chloro-4-[1-(4-chlorophenyl)ethenyl]benzene;2,2-dichloro-2-phenylacetic acid
CID 70269742
(Z)-3-acetamido-3-[2-[1-(4-chlorophenyl)ethenyl]phenyl]-N,N-dimethylprop-2-enamide
CID 102276227
2-chloro-3-(1-phenylethenyl)pyridine
CID 102526031
actinium;1-(4-chlorophenyl)ethenol
CID 22892784
1-(4-chlorophenyl)ethenamine
CID 122642948
N-[2-[1-(4-chlorophenyl)ethenyl]phenyl]-N-(4-methylphenyl)sulfonylprop-2-enamide
CID 171482518
4-[1-(4-chlorophenyl)ethenyl]benzonitrile
CID 54481297
2-[1-(4-chlorophenyl)ethenyl]-1H-indole
CID 166072616
(E)-1,2-bis(4-chlorophenyl)ethene-1,2-dithiol
CID 101018252
1-fluoro-4-[1-(2-iodophenyl)ethenyl]benzene
CID 175448497

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[1-(2-isocyanophenyl)ethenyl]benzene?
The IUPAC name of 1-chloro-4-[1-(2-isocyanophenyl)ethenyl]benzene (CID 164673172) is 1-chloro-4-[1-(2-isocyanophenyl)ethenyl]benzene.
What is the SMILES notation for 1-chloro-4-[1-(2-isocyanophenyl)ethenyl]benzene?
The canonical SMILES for 1-chloro-4-[1-(2-isocyanophenyl)ethenyl]benzene is [C-]#[N+]c1ccccc1C(=C)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[1-(2-isocyanophenyl)ethenyl]benzene?
The InChIKey is YTHNUXOXFUWGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN/c1-11(12-7-9-13(16)10-8-12)14-5-3-4-6-15(14)17-2/h3-10H,1H2.
What are the key properties of 1-chloro-4-[1-(2-isocyanophenyl)ethenyl]benzene?
1-chloro-4-[1-(2-isocyanophenyl)ethenyl]benzene has a molecular weight of 239.70 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[1-(2-isocyanophenyl)ethenyl]benzene is sourced from PubChem (CID 164673172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).