ethyl 2-(2-chlorophenyl)hexanoate

C14H19ClO2 — CID 142202893

IUPACethyl 2-(2-chlorophenyl)hexanoate
SMILESCCCCC(C(=O)OCC)c1ccccc1Cl
InChIInChI=1S/C14H19ClO2/c1-3-5-8-12(14(16)17-4-2)11-9-6-7-10-13(11)15/h6-7,9-10,12H,3-5,8H2,1-2H3
InChIKeySDYAMCGTDMSPEW-UHFFFAOYSA-N
MW254.76 g/mol
LogP4.18
Rot. Bonds6

About ethyl 2-(2-chlorophenyl)hexanoate

ethyl 2-(2-chlorophenyl)hexanoate (PubChem CID 142202893) has the molecular formula C14H19ClO2 and a molecular weight of 254.76 g/mol. Its IUPAC name is ethyl 2-(2-chlorophenyl)hexanoate.

Molecular Properties

Compound Nameethyl 2-(2-chlorophenyl)hexanoate
PubChem CID142202893
Molecular FormulaC14H19ClO2
Molecular Weight254.76 g/mol
Exact Mass254.11
IUPAC Nameethyl 2-(2-chlorophenyl)hexanoate
SMILESCCCCC(C(=O)OCC)c1ccccc1Cl
InChIInChI=1S/C14H19ClO2/c1-3-5-8-12(14(16)17-4-2)11-9-6-7-10-13(11)15/h6-7,9-10,12H,3-5,8H2,1-2H3
InChIKeySDYAMCGTDMSPEW-UHFFFAOYSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(2-chlorophenyl)-3-phenylpropanoate
CID 169227908
triethyl 2-(2-chlorophenyl)ethane-1,1,2-tricarboxylate
CID 102417450
1-(2-chlorophenyl)pentyl acetate
CID 141200843
ethyl 2-(2-chlorophenyl)-2-methylsulfanylacetate
CID 12630927
carbamic acid;3-(2-chlorophenyl)hexan-2-one
CID 145375044
ethyl 2-(2-amino-3-chlorophenyl)butanoate
CID 106988100
ethyl 2-(2-amino-3-methylphenyl)octanoate
CID 106987977
ethyl 2-(2-chlorophenyl)-2-phenoxyacetate
CID 117065643
ethyl [2,2,2-trichloro-1-(2-chlorophenyl)ethyl] carbonate
CID 121224519
diethyl 2-(3-chloro-2-fluorophenyl)propanedioate
CID 86045257
1-(2-chlorophenyl)hexan-1-ol
CID 62606389
1-chloro-2-(1-iodopentyl)benzene
CID 126727216

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chlorophenyl)hexanoate?
The IUPAC name of ethyl 2-(2-chlorophenyl)hexanoate (CID 142202893) is ethyl 2-(2-chlorophenyl)hexanoate.
What is the SMILES notation for ethyl 2-(2-chlorophenyl)hexanoate?
The canonical SMILES for ethyl 2-(2-chlorophenyl)hexanoate is CCCCC(C(=O)OCC)c1ccccc1Cl.
What is the InChIKey of ethyl 2-(2-chlorophenyl)hexanoate?
The InChIKey is SDYAMCGTDMSPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO2/c1-3-5-8-12(14(16)17-4-2)11-9-6-7-10-13(11)15/h6-7,9-10,12H,3-5,8H2,1-2H3.
What are the key properties of ethyl 2-(2-chlorophenyl)hexanoate?
ethyl 2-(2-chlorophenyl)hexanoate has a molecular weight of 254.76 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chlorophenyl)hexanoate is sourced from PubChem (CID 142202893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).