1-(4-chlorophenoxy)pent-4-en-2-one

C11H11ClO2 — CID 105083082

IUPAC1-(4-chlorophenoxy)pent-4-en-2-one
SMILESC=CCC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C11H11ClO2/c1-2-3-10(13)8-14-11-6-4-9(12)5-7-11/h2,4-7H,1,3,8H2
InChIKeyFFAVKMGJRPDWQX-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.86
Rot. Bonds5

About 1-(4-chlorophenoxy)pent-4-en-2-one

1-(4-chlorophenoxy)pent-4-en-2-one (PubChem CID 105083082) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)pent-4-en-2-one.

Molecular Properties

Compound Name1-(4-chlorophenoxy)pent-4-en-2-one
PubChem CID105083082
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name1-(4-chlorophenoxy)pent-4-en-2-one
SMILESC=CCC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C11H11ClO2/c1-2-3-10(13)8-14-11-6-4-9(12)5-7-11/h2,4-7H,1,3,8H2
InChIKeyFFAVKMGJRPDWQX-UHFFFAOYSA-N
XLogP2.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenoxypent-4-en-2-one
CID 62716371
bis(2-(4-chlorophenoxy)acetic acid);zinc
CID 11201418
2-(4-chlorophenoxy)acetyl iodide
CID 134255037
azanium 2-(4-chlorophenoxy)acetate
CID 142591022
disodium bis(2-(4-chlorophenoxy)acetate)
CID 141454820
(4-chlorophenyl) 2-[4-[2-(4-chlorophenoxy)-2-oxoethoxy]phenoxy]acetate
CID 10503577
1-(4-chlorophenoxy)-5-methylhexan-2-one
CID 115693509
2-(4-chlorophenoxy)-N-hydroxyacetamide
CID 11183280
2-(4-chlorophenoxy)-N-oxoacetamide
CID 123460876
1-(4-chlorophenoxy)-3-cyclopentylpropan-2-one
CID 105092134
1-(4-chlorophenoxy)-4-methylhexan-2-one
CID 105091656
4-(4-chlorophenoxy)-3-phenylbut-2-enoic acid
CID 66759105

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)pent-4-en-2-one?
The IUPAC name of 1-(4-chlorophenoxy)pent-4-en-2-one (CID 105083082) is 1-(4-chlorophenoxy)pent-4-en-2-one.
What is the SMILES notation for 1-(4-chlorophenoxy)pent-4-en-2-one?
The canonical SMILES for 1-(4-chlorophenoxy)pent-4-en-2-one is C=CCC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenoxy)pent-4-en-2-one?
The InChIKey is FFAVKMGJRPDWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c1-2-3-10(13)8-14-11-6-4-9(12)5-7-11/h2,4-7H,1,3,8H2.
What are the key properties of 1-(4-chlorophenoxy)pent-4-en-2-one?
1-(4-chlorophenoxy)pent-4-en-2-one has a molecular weight of 210.66 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)pent-4-en-2-one is sourced from PubChem (CID 105083082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).