[(1R)-1-chloroprop-2-enyl]benzene

C9H9Cl — CID 94848346

IUPAC[(1R)-1-chloroprop-2-enyl]benzene
SMILESC=C[C@@H](Cl)c1ccccc1
InChIInChI=1S/C9H9Cl/c1-2-9(10)8-6-4-3-5-7-8/h2-7,9H,1H2/t9-/m1/s1
InChIKeySLBOQBILGNEPEB-SECBINFHSA-N
MW152.62 g/mol
LogP3.15
Rot. Bonds2

About [(1R)-1-chloroprop-2-enyl]benzene

[(1R)-1-chloroprop-2-enyl]benzene (PubChem CID 94848346) has the molecular formula C9H9Cl and a molecular weight of 152.62 g/mol. Its IUPAC name is [(1R)-1-chloroprop-2-enyl]benzene.

Molecular Properties

Compound Name[(1R)-1-chloroprop-2-enyl]benzene
PubChem CID94848346
Molecular FormulaC9H9Cl
Molecular Weight152.62 g/mol
Exact Mass152.04
IUPAC Name[(1R)-1-chloroprop-2-enyl]benzene
SMILESC=C[C@@H](Cl)c1ccccc1
InChIInChI=1S/C9H9Cl/c1-2-9(10)8-6-4-3-5-7-8/h2-7,9H,1H2/t9-/m1/s1
InChIKeySLBOQBILGNEPEB-SECBINFHSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-chloroprop-2-enyl]benzene?
The IUPAC name of [(1R)-1-chloroprop-2-enyl]benzene (CID 94848346) is [(1R)-1-chloroprop-2-enyl]benzene.
What is the SMILES notation for [(1R)-1-chloroprop-2-enyl]benzene?
The canonical SMILES for [(1R)-1-chloroprop-2-enyl]benzene is C=C[C@@H](Cl)c1ccccc1.
What is the InChIKey of [(1R)-1-chloroprop-2-enyl]benzene?
The InChIKey is SLBOQBILGNEPEB-SECBINFHSA-N. The full InChI is InChI=1S/C9H9Cl/c1-2-9(10)8-6-4-3-5-7-8/h2-7,9H,1H2/t9-/m1/s1.
What are the key properties of [(1R)-1-chloroprop-2-enyl]benzene?
[(1R)-1-chloroprop-2-enyl]benzene has a molecular weight of 152.62 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-chloroprop-2-enyl]benzene is sourced from PubChem (CID 94848346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).