ethyl 2-(4-chlorophenoxy)-2-propylpentanoate

C16H23ClO3 — CID 141284185

IUPACethyl 2-(4-chlorophenoxy)-2-propylpentanoate
SMILESCCCC(CCC)(Oc1ccc(Cl)cc1)C(=O)OCC
InChIInChI=1S/C16H23ClO3/c1-4-11-16(12-5-2,15(18)19-6-3)20-14-9-7-13(17)8-10-14/h7-10H,4-6,11-12H2,1-3H3
InChIKeyGFEPJROGVJMCQA-UHFFFAOYSA-N
MW298.81 g/mol
LogP4.62
Rot. Bonds8

About ethyl 2-(4-chlorophenoxy)-2-propylpentanoate

ethyl 2-(4-chlorophenoxy)-2-propylpentanoate (PubChem CID 141284185) has the molecular formula C16H23ClO3 and a molecular weight of 298.81 g/mol. Its IUPAC name is ethyl 2-(4-chlorophenoxy)-2-propylpentanoate.

Molecular Properties

Compound Nameethyl 2-(4-chlorophenoxy)-2-propylpentanoate
PubChem CID141284185
Molecular FormulaC16H23ClO3
Molecular Weight298.81 g/mol
Exact Mass298.13
IUPAC Nameethyl 2-(4-chlorophenoxy)-2-propylpentanoate
SMILESCCCC(CCC)(Oc1ccc(Cl)cc1)C(=O)OCC
InChIInChI=1S/C16H23ClO3/c1-4-11-16(12-5-2,15(18)19-6-3)20-14-9-7-13(17)8-10-14/h7-10H,4-6,11-12H2,1-3H3
InChIKeyGFEPJROGVJMCQA-UHFFFAOYSA-N
XLogP4.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-chlorophenoxy)-2-methylpropanoate;dihydrate
CID 70531737
ethyl 2-(4-chlorophenoxy)-2-methylpropanoate;hydroiodide
CID 175590665
2,2-bis(4-chlorophenoxy)-3-ethoxy-3-oxopropanoic acid
CID 154167091
ethyl 2-[4-chloro-2-(1,3-dioxol-2-yl)phenoxy]-2-propylpentanoate
CID 141238086
2-(aminomethyl)-2-(4-chlorophenoxy)butanoic acid
CID 70081540
ethyl 2-(4-chloroanilino)-2-methylpentanoate
CID 54890839
ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate
CID 160629016
ethyl 3-(4-chlorophenyl)-2-methyl-2-(4-propan-2-ylphenoxy)propanoate
CID 10713588
1-chloro-4-(3-ethoxy-2-methylbut-3-en-2-yl)oxybenzene
CID 118144711
propyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
CID 71360491
ethyl 2-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]phenoxy]-2-methylpropanoate
CID 3063023
triethyl (2R)-2-(4-chlorophenyl)propane-1,1,1-tricarboxylate
CID 11559746

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chlorophenoxy)-2-propylpentanoate?
The IUPAC name of ethyl 2-(4-chlorophenoxy)-2-propylpentanoate (CID 141284185) is ethyl 2-(4-chlorophenoxy)-2-propylpentanoate.
What is the SMILES notation for ethyl 2-(4-chlorophenoxy)-2-propylpentanoate?
The canonical SMILES for ethyl 2-(4-chlorophenoxy)-2-propylpentanoate is CCCC(CCC)(Oc1ccc(Cl)cc1)C(=O)OCC.
What is the InChIKey of ethyl 2-(4-chlorophenoxy)-2-propylpentanoate?
The InChIKey is GFEPJROGVJMCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClO3/c1-4-11-16(12-5-2,15(18)19-6-3)20-14-9-7-13(17)8-10-14/h7-10H,4-6,11-12H2,1-3H3.
What are the key properties of ethyl 2-(4-chlorophenoxy)-2-propylpentanoate?
ethyl 2-(4-chlorophenoxy)-2-propylpentanoate has a molecular weight of 298.81 g/mol, XLogP of 4.62, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chlorophenoxy)-2-propylpentanoate is sourced from PubChem (CID 141284185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).