1-chloroprop-2-enoxybenzene

C9H9ClO — CID 23328786

IUPAC1-chloroprop-2-enoxybenzene
SMILESC=CC(Cl)Oc1ccccc1
InChIInChI=1S/C9H9ClO/c1-2-9(10)11-8-6-4-3-5-7-8/h2-7,9H,1H2
InChIKeyIVFYPWGQCHFSLL-UHFFFAOYSA-N
MW168.62 g/mol
LogP2.82
Rot. Bonds3

About 1-chloroprop-2-enoxybenzene

1-chloroprop-2-enoxybenzene (PubChem CID 23328786) has the molecular formula C9H9ClO and a molecular weight of 168.62 g/mol. Its IUPAC name is 1-chloroprop-2-enoxybenzene.

Molecular Properties

Compound Name1-chloroprop-2-enoxybenzene
PubChem CID23328786
Molecular FormulaC9H9ClO
Molecular Weight168.62 g/mol
Exact Mass168.03
IUPAC Name1-chloroprop-2-enoxybenzene
SMILESC=CC(Cl)Oc1ccccc1
InChIInChI=1S/C9H9ClO/c1-2-9(10)11-8-6-4-3-5-7-8/h2-7,9H,1H2
InChIKeyIVFYPWGQCHFSLL-UHFFFAOYSA-N
XLogP2.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.62
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

1-phenoxyprop-2-enylbenzene
CID 11735962
amino(1-phenoxyprop-2-enyl)azanium
CID 173197898
1-chloroprop-2-enoxymethylbenzene
CID 175273540
[(3S)-hex-1-en-3-yl]oxybenzene
CID 100974430
1,2-dichloropropoxybenzene
CID 118151210
2-chloro-2-phenoxyacetonitrile
CID 53400486
chloroform;1-phenoxyethanol
CID 160851082
[(1R)-1-chloroprop-2-enyl]benzene
CID 94848346
1-chloroprop-2-enylbenzene
CID 11768772
dichloro-hydroxy-phenoxyphosphanium
CID 23414991
1-ethenoxypropoxybenzene
CID 20548165
1-methoxy-3-(1-phenylprop-2-enoxy)benzene
CID 68585069

Frequently Asked Questions

What is the IUPAC name of 1-chloroprop-2-enoxybenzene?
The IUPAC name of 1-chloroprop-2-enoxybenzene (CID 23328786) is 1-chloroprop-2-enoxybenzene.
What is the SMILES notation for 1-chloroprop-2-enoxybenzene?
The canonical SMILES for 1-chloroprop-2-enoxybenzene is C=CC(Cl)Oc1ccccc1.
What is the InChIKey of 1-chloroprop-2-enoxybenzene?
The InChIKey is IVFYPWGQCHFSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO/c1-2-9(10)11-8-6-4-3-5-7-8/h2-7,9H,1H2.
What are the key properties of 1-chloroprop-2-enoxybenzene?
1-chloroprop-2-enoxybenzene has a molecular weight of 168.62 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroprop-2-enoxybenzene is sourced from PubChem (CID 23328786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).