[(E)-3-chloroprop-1-enyl]benzene

C9H9Cl — CID 639658

IUPAC[(E)-3-chloroprop-1-enyl]benzene
SMILESClC/C=C/c1ccccc1
InChIInChI=1S/C9H9Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2/b7-4+
InChIKeyIWTYTFSSTWXZFU-QPJJXVBHSA-N
MW152.62 g/mol
LogP2.94
Rot. Bonds2

About [(E)-3-chloroprop-1-enyl]benzene

[(E)-3-chloroprop-1-enyl]benzene (PubChem CID 639658) has the molecular formula C9H9Cl and a molecular weight of 152.62 g/mol. Its IUPAC name is [(E)-3-chloroprop-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-3-chloroprop-1-enyl]benzene
PubChem CID639658
Molecular FormulaC9H9Cl
Molecular Weight152.62 g/mol
Exact Mass152.04
IUPAC Name[(E)-3-chloroprop-1-enyl]benzene
SMILESClC/C=C/c1ccccc1
InChIInChI=1S/C9H9Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2/b7-4+
InChIKeyIWTYTFSSTWXZFU-QPJJXVBHSA-N
XLogP2.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.62
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Toluene
CID 1140
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
M-Xylene
CID 7929
P-Xylene
CID 7809
Benzyl Chloride
CID 7503
Butylbenzene
CID 7705
1-Ethenyl-4-methylbenzene
CID 12161
Pentylbenzene
CID 10864
Benzotrichloride
CID 7367
Propylbenzene
CID 7668

Frequently Asked Questions

What is the IUPAC name of [(E)-3-chloroprop-1-enyl]benzene?
The IUPAC name of [(E)-3-chloroprop-1-enyl]benzene (CID 639658) is [(E)-3-chloroprop-1-enyl]benzene.
What is the SMILES notation for [(E)-3-chloroprop-1-enyl]benzene?
The canonical SMILES for [(E)-3-chloroprop-1-enyl]benzene is ClC/C=C/c1ccccc1.
What is the InChIKey of [(E)-3-chloroprop-1-enyl]benzene?
The InChIKey is IWTYTFSSTWXZFU-QPJJXVBHSA-N. The full InChI is InChI=1S/C9H9Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2/b7-4+.
What are the key properties of [(E)-3-chloroprop-1-enyl]benzene?
[(E)-3-chloroprop-1-enyl]benzene has a molecular weight of 152.62 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-chloroprop-1-enyl]benzene is sourced from PubChem (CID 639658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).