4-(2-chloroethoxy)butyl 4-ethenylbenzoate

C15H19ClO3 — CID 57236268

IUPAC4-(2-chloroethoxy)butyl 4-ethenylbenzoate
SMILESC=Cc1ccc(C(=O)OCCCCOCCCl)cc1
InChIInChI=1S/C15H19ClO3/c1-2-13-5-7-14(8-6-13)15(17)19-11-4-3-10-18-12-9-16/h2,5-8H,1,3-4,9-12H2
InChIKeyUVBUDDBXMFZIOC-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.52
Rot. Bonds9

About 4-(2-chloroethoxy)butyl 4-ethenylbenzoate

4-(2-chloroethoxy)butyl 4-ethenylbenzoate (PubChem CID 57236268) has the molecular formula C15H19ClO3 and a molecular weight of 282.77 g/mol. Its IUPAC name is 4-(2-chloroethoxy)butyl 4-ethenylbenzoate.

Molecular Properties

Compound Name4-(2-chloroethoxy)butyl 4-ethenylbenzoate
PubChem CID57236268
Molecular FormulaC15H19ClO3
Molecular Weight282.77 g/mol
Exact Mass282.10
IUPAC Name4-(2-chloroethoxy)butyl 4-ethenylbenzoate
SMILESC=Cc1ccc(C(=O)OCCCCOCCCl)cc1
InChIInChI=1S/C15H19ClO3/c1-2-13-5-7-14(8-6-13)15(17)19-11-4-3-10-18-12-9-16/h2,5-8H,1,3-4,9-12H2
InChIKeyUVBUDDBXMFZIOC-UHFFFAOYSA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-chloroethoxy)butyl 4-ethenylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromopentyl 4-ethenylbenzoate
CID 54019940
hexyl 4-ethenylbenzoate
CID 12541506
bis(4-chlorobutyl) benzene-1,4-dicarboxylate
CID 139952854
2-prop-2-enoxyethyl 4-ethenylbenzoate
CID 58769638
4-diethoxysilylbutyl 4-ethenylbenzoate
CID 175332741
2-methoxyethyl 4-ethenylbenzoate
CID 58960727
[(4R)-4-(4-ethenylbenzoyl)oxypentyl] 4-ethenylbenzoate
CID 101015957
6-(4-formylbenzoyl)oxyhexyl 4-formylbenzoate
CID 102486247
ethyl 4-[4-(4-ethenylphenoxy)butoxy]benzoate
CID 102095927
6-(2,4-diaminophenoxy)hexyl 4-ethenylbenzoate
CID 130380816
2-methoxyethoxymethyl 4-ethenylbenzoate
CID 138732599
[4-(2,5-dihydroxypyrrol-1-yl)oxy-4-oxobutyl] 4-ethenylbenzoate
CID 91123123

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethoxy)butyl 4-ethenylbenzoate?
The IUPAC name of 4-(2-chloroethoxy)butyl 4-ethenylbenzoate (CID 57236268) is 4-(2-chloroethoxy)butyl 4-ethenylbenzoate.
What is the SMILES notation for 4-(2-chloroethoxy)butyl 4-ethenylbenzoate?
The canonical SMILES for 4-(2-chloroethoxy)butyl 4-ethenylbenzoate is C=Cc1ccc(C(=O)OCCCCOCCCl)cc1.
What is the InChIKey of 4-(2-chloroethoxy)butyl 4-ethenylbenzoate?
The InChIKey is UVBUDDBXMFZIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO3/c1-2-13-5-7-14(8-6-13)15(17)19-11-4-3-10-18-12-9-16/h2,5-8H,1,3-4,9-12H2.
What are the key properties of 4-(2-chloroethoxy)butyl 4-ethenylbenzoate?
4-(2-chloroethoxy)butyl 4-ethenylbenzoate has a molecular weight of 282.77 g/mol, XLogP of 3.52, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethoxy)butyl 4-ethenylbenzoate is sourced from PubChem (CID 57236268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).