ethyl (2R)-2-(2,6-dimethylphenoxy)butanoate

C14H20O3 — CID 125470264

IUPACethyl (2R)-2-(2,6-dimethylphenoxy)butanoate
SMILESCCOC(=O)[C@@H](CC)Oc1c(C)cccc1C
InChIInChI=1S/C14H20O3/c1-5-12(14(15)16-6-2)17-13-10(3)8-7-9-11(13)4/h7-9,12H,5-6H2,1-4H3/t12-/m1/s1
InChIKeyUXGGAOXUCAKUBK-GFCCVEGCSA-N
MW236.31 g/mol
LogP3.02
Rot. Bonds5

About ethyl (2R)-2-(2,6-dimethylphenoxy)butanoate

ethyl (2R)-2-(2,6-dimethylphenoxy)butanoate (PubChem CID 125470264) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is ethyl (2R)-2-(2,6-dimethylphenoxy)butanoate.

Molecular Properties

Compound Nameethyl (2R)-2-(2,6-dimethylphenoxy)butanoate
PubChem CID125470264
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Nameethyl (2R)-2-(2,6-dimethylphenoxy)butanoate
SMILESCCOC(=O)[C@@H](CC)Oc1c(C)cccc1C
InChIInChI=1S/C14H20O3/c1-5-12(14(15)16-6-2)17-13-10(3)8-7-9-11(13)4/h7-9,12H,5-6H2,1-4H3/t12-/m1/s1
InChIKeyUXGGAOXUCAKUBK-GFCCVEGCSA-N
XLogP3.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2-(2-aminoethyl)-6-methylphenoxy]butanoate
CID 112614882
ethyl 2-[2-(2-aminopropyl)-6-methylphenoxy]butanoate
CID 115958127
ethyl 2-[2-(2-aminobutyl)-6-methylphenoxy]butanoate
CID 115958262
2-(2,6-dimethylphenoxy)pentanehydrazide
CID 54792907
ethyl 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]butanoate
CID 64668112
ethyl (2S)-2-(3-bromophenoxy)butanoate
CID 40628551
ethyl 2-(4-methylphenoxy)butanoate
CID 64662052
ethyl 2-(3-carbamoylphenoxy)butanoate
CID 64662255
ethyl 2-(3-tert-butylphenoxy)butanoate
CID 63001634
ethyl 2-(2,6-dichloro-4-hydroxyphenoxy)butanoate
CID 67576525
ethyl 2-[3-[(1R)-1-aminoethyl]phenoxy]butanoate
CID 78996836
2-(2-formyl-6-methylphenoxy)butanoic acid
CID 112611069

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(2,6-dimethylphenoxy)butanoate?
The IUPAC name of ethyl (2R)-2-(2,6-dimethylphenoxy)butanoate (CID 125470264) is ethyl (2R)-2-(2,6-dimethylphenoxy)butanoate.
What is the SMILES notation for ethyl (2R)-2-(2,6-dimethylphenoxy)butanoate?
The canonical SMILES for ethyl (2R)-2-(2,6-dimethylphenoxy)butanoate is CCOC(=O)[C@@H](CC)Oc1c(C)cccc1C.
What is the InChIKey of ethyl (2R)-2-(2,6-dimethylphenoxy)butanoate?
The InChIKey is UXGGAOXUCAKUBK-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20O3/c1-5-12(14(15)16-6-2)17-13-10(3)8-7-9-11(13)4/h7-9,12H,5-6H2,1-4H3/t12-/m1/s1.
What are the key properties of ethyl (2R)-2-(2,6-dimethylphenoxy)butanoate?
ethyl (2R)-2-(2,6-dimethylphenoxy)butanoate has a molecular weight of 236.31 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(2,6-dimethylphenoxy)butanoate is sourced from PubChem (CID 125470264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).