prop-1-en-2-yl 2,4-dichlorobenzoate

C10H8Cl2O2 — CID 89323884

IUPACprop-1-en-2-yl 2,4-dichlorobenzoate
SMILESC=C(C)OC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H8Cl2O2/c1-6(2)14-10(13)8-4-3-7(11)5-9(8)12/h3-5H,1H2,2H3
InChIKeyZVGHXRNCLIGETO-UHFFFAOYSA-N
MW231.08 g/mol
LogP3.68
Rot. Bonds2

About prop-1-en-2-yl 2,4-dichlorobenzoate

prop-1-en-2-yl 2,4-dichlorobenzoate (PubChem CID 89323884) has the molecular formula C10H8Cl2O2 and a molecular weight of 231.08 g/mol. Its IUPAC name is prop-1-en-2-yl 2,4-dichlorobenzoate.

Molecular Properties

Compound Nameprop-1-en-2-yl 2,4-dichlorobenzoate
PubChem CID89323884
Molecular FormulaC10H8Cl2O2
Molecular Weight231.08 g/mol
Exact Mass229.99
IUPAC Nameprop-1-en-2-yl 2,4-dichlorobenzoate
SMILESC=C(C)OC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H8Cl2O2/c1-6(2)14-10(13)8-4-3-7(11)5-9(8)12/h3-5H,1H2,2H3
InChIKeyZVGHXRNCLIGETO-UHFFFAOYSA-N
XLogP3.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.08
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(3,3-dimethylbut-1-en-2-ylamino) 2,4-dichlorobenzoate
CID 2195216
1-(2,4-dichlorophenyl)-4-methylpent-4-en-1-one
CID 115802801
[bis[(2,4-dichlorobenzoyl)oxy]methoxy-(2,4-dichlorobenzoyl)oxymethyl] 2,4-dichlorobenzoate
CID 57177466
[(2S)-1-amino-1-oxopropan-2-yl] 2,4-dichlorobenzoate
CID 7508328
(2,6-dimethylpyrimidin-4-yl) 2,4-dichlorobenzoate
CID 1476061
(4-chlorophenyl)methyl 2,4-dichlorobenzoate
CID 962047
(3,4-dichlorophenyl) 2,4-dichlorobenzoate
CID 2805035
1-(2,4-dichlorophenyl)(214C)ethanone
CID 10750217
2,4-dichloro-N-methylidenebenzamide
CID 70837657
2-[(2,4-dichlorobenzoyl)oxy-(2,4-dichloro-3-ethylphenyl)methylidene]-3-oxobutanoic acid
CID 67899790
(2-methoxycarbonylphenyl) 2,4-dichlorobenzoate
CID 837741
sodium (2,4-dichlorobenzoyl)azanide
CID 143659946

Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yl 2,4-dichlorobenzoate?
The IUPAC name of prop-1-en-2-yl 2,4-dichlorobenzoate (CID 89323884) is prop-1-en-2-yl 2,4-dichlorobenzoate.
What is the SMILES notation for prop-1-en-2-yl 2,4-dichlorobenzoate?
The canonical SMILES for prop-1-en-2-yl 2,4-dichlorobenzoate is C=C(C)OC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of prop-1-en-2-yl 2,4-dichlorobenzoate?
The InChIKey is ZVGHXRNCLIGETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2O2/c1-6(2)14-10(13)8-4-3-7(11)5-9(8)12/h3-5H,1H2,2H3.
What are the key properties of prop-1-en-2-yl 2,4-dichlorobenzoate?
prop-1-en-2-yl 2,4-dichlorobenzoate has a molecular weight of 231.08 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl 2,4-dichlorobenzoate is sourced from PubChem (CID 89323884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).