[1-(3-chlorophenyl)-2-oxopentyl] butanoate

C15H19ClO3 — CID 102378022

IUPAC[1-(3-chlorophenyl)-2-oxopentyl] butanoate
SMILESCCCC(=O)OC(C(=O)CCC)c1cccc(Cl)c1
InChIInChI=1S/C15H19ClO3/c1-3-6-13(17)15(19-14(18)7-4-2)11-8-5-9-12(16)10-11/h5,8-10,15H,3-4,6-7H2,1-2H3
InChIKeyGORVFVISIJLQOA-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.09
Rot. Bonds7

About [1-(3-chlorophenyl)-2-oxopentyl] butanoate

[1-(3-chlorophenyl)-2-oxopentyl] butanoate (PubChem CID 102378022) has the molecular formula C15H19ClO3 and a molecular weight of 282.77 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-2-oxopentyl] butanoate.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-2-oxopentyl] butanoate
PubChem CID102378022
Molecular FormulaC15H19ClO3
Molecular Weight282.77 g/mol
Exact Mass282.10
IUPAC Name[1-(3-chlorophenyl)-2-oxopentyl] butanoate
SMILESCCCC(=O)OC(C(=O)CCC)c1cccc(Cl)c1
InChIInChI=1S/C15H19ClO3/c1-3-6-13(17)15(19-14(18)7-4-2)11-8-5-9-12(16)10-11/h5,8-10,15H,3-4,6-7H2,1-2H3
InChIKeyGORVFVISIJLQOA-UHFFFAOYSA-N
XLogP4.09
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-2-oxopentyl] butanoate?
The IUPAC name of [1-(3-chlorophenyl)-2-oxopentyl] butanoate (CID 102378022) is [1-(3-chlorophenyl)-2-oxopentyl] butanoate.
What is the SMILES notation for [1-(3-chlorophenyl)-2-oxopentyl] butanoate?
The canonical SMILES for [1-(3-chlorophenyl)-2-oxopentyl] butanoate is CCCC(=O)OC(C(=O)CCC)c1cccc(Cl)c1.
What is the InChIKey of [1-(3-chlorophenyl)-2-oxopentyl] butanoate?
The InChIKey is GORVFVISIJLQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO3/c1-3-6-13(17)15(19-14(18)7-4-2)11-8-5-9-12(16)10-11/h5,8-10,15H,3-4,6-7H2,1-2H3.
What are the key properties of [1-(3-chlorophenyl)-2-oxopentyl] butanoate?
[1-(3-chlorophenyl)-2-oxopentyl] butanoate has a molecular weight of 282.77 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-2-oxopentyl] butanoate is sourced from PubChem (CID 102378022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).