methyl 2-(4-chlorophenoxy)pentanoate

C12H15ClO3 — CID 15744144

IUPACmethyl 2-(4-chlorophenoxy)pentanoate
SMILESCCCC(Oc1ccc(Cl)cc1)C(=O)OC
InChIInChI=1S/C12H15ClO3/c1-3-4-11(12(14)15-2)16-10-7-5-9(13)6-8-10/h5-8,11H,3-4H2,1-2H3
InChIKeyLZOWJSHANNYSSZ-UHFFFAOYSA-N
MW242.70 g/mol
LogP3.06
Rot. Bonds5

About methyl 2-(4-chlorophenoxy)pentanoate

methyl 2-(4-chlorophenoxy)pentanoate (PubChem CID 15744144) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is methyl 2-(4-chlorophenoxy)pentanoate.

Molecular Properties

Compound Namemethyl 2-(4-chlorophenoxy)pentanoate
PubChem CID15744144
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Namemethyl 2-(4-chlorophenoxy)pentanoate
SMILESCCCC(Oc1ccc(Cl)cc1)C(=O)OC
InChIInChI=1S/C12H15ClO3/c1-3-4-11(12(14)15-2)16-10-7-5-9(13)6-8-10/h5-8,11H,3-4H2,1-2H3
InChIKeyLZOWJSHANNYSSZ-UHFFFAOYSA-N
XLogP3.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[4-(4-chlorobenzoyl)phenoxy]hexanoate
CID 146594128
2-(4-aminophenoxy)-1-(4-chlorophenyl)pentan-1-one
CID 46307731
[4-(4-nitrophenoxy)phenyl] 2-[4-(4-chlorophenoxy)phenoxy]pentanoate
CID 14498574
1-(4-chlorophenoxy)butan-1-ol
CID 23332143
ethyl 2-(4-fluoro-3-methylphenoxy)pentanoate
CID 83037537
methyl 2-(2,5-dichlorophenoxy)hexanoate
CID 113373433
methyl 2-(4-hydroxyphenoxy)butanoate
CID 23513287
1-chloro-4-heptan-4-yloxybenzene
CID 142490419
methyl 2-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]pentanoate
CID 139655941
2-(4-chlorophenoxy)-4-(methylamino)butanoic acid
CID 112518417
methyl 2-[4-fluoro-3-(trifluoromethyl)phenoxy]hexanoate
CID 102746818
2-(3,4-difluorophenoxy)pentanehydrazide
CID 83048019

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chlorophenoxy)pentanoate?
The IUPAC name of methyl 2-(4-chlorophenoxy)pentanoate (CID 15744144) is methyl 2-(4-chlorophenoxy)pentanoate.
What is the SMILES notation for methyl 2-(4-chlorophenoxy)pentanoate?
The canonical SMILES for methyl 2-(4-chlorophenoxy)pentanoate is CCCC(Oc1ccc(Cl)cc1)C(=O)OC.
What is the InChIKey of methyl 2-(4-chlorophenoxy)pentanoate?
The InChIKey is LZOWJSHANNYSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3/c1-3-4-11(12(14)15-2)16-10-7-5-9(13)6-8-10/h5-8,11H,3-4H2,1-2H3.
What are the key properties of methyl 2-(4-chlorophenoxy)pentanoate?
methyl 2-(4-chlorophenoxy)pentanoate has a molecular weight of 242.70 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chlorophenoxy)pentanoate is sourced from PubChem (CID 15744144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).