1-chloroprop-2-enylbenzene

C9H9Cl — CID 11768772

IUPAC1-chloroprop-2-enylbenzene
SMILESC=CC(Cl)c1ccccc1
InChIInChI=1S/C9H9Cl/c1-2-9(10)8-6-4-3-5-7-8/h2-7,9H,1H2
InChIKeySLBOQBILGNEPEB-UHFFFAOYSA-N
MW152.62 g/mol
LogP3.15
Rot. Bonds2

About 1-chloroprop-2-enylbenzene

1-chloroprop-2-enylbenzene (PubChem CID 11768772) has the molecular formula C9H9Cl and a molecular weight of 152.62 g/mol. Its IUPAC name is 1-chloroprop-2-enylbenzene.

Molecular Properties

Compound Name1-chloroprop-2-enylbenzene
PubChem CID11768772
Molecular FormulaC9H9Cl
Molecular Weight152.62 g/mol
Exact Mass152.04
IUPAC Name1-chloroprop-2-enylbenzene
SMILESC=CC(Cl)c1ccccc1
InChIInChI=1S/C9H9Cl/c1-2-9(10)8-6-4-3-5-7-8/h2-7,9H,1H2
InChIKeySLBOQBILGNEPEB-UHFFFAOYSA-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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Related Compounds

[(1R)-1-chloroprop-2-enyl]benzene
CID 94848346
(2R)-2-chloro-2-phenylacetaldehyde
CID 92982743
[(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene
CID 12573330
penta-1,4-dien-3-ylbenzene
CID 15879286
4-(1-chloroprop-2-enyl)benzaldehyde
CID 141042179
1-chloroprop-2-enylbenzene;methyl 2-methylprop-2-enoate;styrene
CID 158716634
1,1,1-trichlorobut-3-en-2-ylbenzene
CID 71393559
dichloromethylbenzene;ethene
CID 157063786
[chloro(ethenoxy)methyl]benzene
CID 175176601
CID 147982953
CID 147982953
1-phenylprop-2-enyloxidanium
CID 135026196
benzene;1-phenylprop-2-en-1-ol
CID 174884403

Frequently Asked Questions

What is the IUPAC name of 1-chloroprop-2-enylbenzene?
The IUPAC name of 1-chloroprop-2-enylbenzene (CID 11768772) is 1-chloroprop-2-enylbenzene.
What is the SMILES notation for 1-chloroprop-2-enylbenzene?
The canonical SMILES for 1-chloroprop-2-enylbenzene is C=CC(Cl)c1ccccc1.
What is the InChIKey of 1-chloroprop-2-enylbenzene?
The InChIKey is SLBOQBILGNEPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl/c1-2-9(10)8-6-4-3-5-7-8/h2-7,9H,1H2.
What are the key properties of 1-chloroprop-2-enylbenzene?
1-chloroprop-2-enylbenzene 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 1-chloroprop-2-enylbenzene is sourced from PubChem (CID 11768772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).