ethyl (2R)-2-(2-chloro-5-methylphenoxy)butanoate

C13H17ClO3 — CID 40613985

IUPACethyl (2R)-2-(2-chloro-5-methylphenoxy)butanoate
SMILESCCOC(=O)[C@@H](CC)Oc1cc(C)ccc1Cl
InChIInChI=1S/C13H17ClO3/c1-4-11(13(15)16-5-2)17-12-8-9(3)6-7-10(12)14/h6-8,11H,4-5H2,1-3H3/t11-/m1/s1
InChIKeyLSBFXXRFGGUJDZ-LLVKDONJSA-N
MW256.73 g/mol
LogP3.37
Rot. Bonds5

About ethyl (2R)-2-(2-chloro-5-methylphenoxy)butanoate

ethyl (2R)-2-(2-chloro-5-methylphenoxy)butanoate (PubChem CID 40613985) has the molecular formula C13H17ClO3 and a molecular weight of 256.73 g/mol. Its IUPAC name is ethyl (2R)-2-(2-chloro-5-methylphenoxy)butanoate.

Molecular Properties

Compound Nameethyl (2R)-2-(2-chloro-5-methylphenoxy)butanoate
PubChem CID40613985
Molecular FormulaC13H17ClO3
Molecular Weight256.73 g/mol
Exact Mass256.09
IUPAC Nameethyl (2R)-2-(2-chloro-5-methylphenoxy)butanoate
SMILESCCOC(=O)[C@@H](CC)Oc1cc(C)ccc1Cl
InChIInChI=1S/C13H17ClO3/c1-4-11(13(15)16-5-2)17-12-8-9(3)6-7-10(12)14/h6-8,11H,4-5H2,1-3H3/t11-/m1/s1
InChIKeyLSBFXXRFGGUJDZ-LLVKDONJSA-N
XLogP3.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl (2R)-2-(2-chloro-5-methylphenoxy)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chloro-5-methylphenoxy)butanoyl chloride
CID 46779580
2-(2-chloro-5-methylphenoxy)-1-phenylbutan-1-one
CID 62031979
ethyl 2-(2,5-dichlorophenoxy)pentanoate
CID 83038151
2-(1-ethoxy-1-oxobutan-2-yl)oxy-5-methylbenzoic acid
CID 64662565
ethyl 2-(2,4,5-trichlorophenoxy)pentanoate
CID 83038818
ethyl 2-(2-chloro-4-cyanophenoxy)butanoate
CID 60667384
ethyl 2-[3-chloro-2-(hydroxymethyl)phenoxy]butanoate
CID 113276891
ethyl 2-[4-(2-aminopropyl)-2-chlorophenoxy]butanoate
CID 64662197
ethyl (2R)-2-(2-amino-4-chlorophenoxy)butanoate
CID 124503178
ethyl 2-[2-(2-aminobutyl)-4-methylphenoxy]butanoate
CID 64663407
ethyl 2-(2-amino-5-methylphenoxy)pentanoate
CID 83034439
2-(2,5-dichlorophenoxy)butanamide
CID 62901251

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(2-chloro-5-methylphenoxy)butanoate?
The IUPAC name of ethyl (2R)-2-(2-chloro-5-methylphenoxy)butanoate (CID 40613985) is ethyl (2R)-2-(2-chloro-5-methylphenoxy)butanoate.
What is the SMILES notation for ethyl (2R)-2-(2-chloro-5-methylphenoxy)butanoate?
The canonical SMILES for ethyl (2R)-2-(2-chloro-5-methylphenoxy)butanoate is CCOC(=O)[C@@H](CC)Oc1cc(C)ccc1Cl.
What is the InChIKey of ethyl (2R)-2-(2-chloro-5-methylphenoxy)butanoate?
The InChIKey is LSBFXXRFGGUJDZ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17ClO3/c1-4-11(13(15)16-5-2)17-12-8-9(3)6-7-10(12)14/h6-8,11H,4-5H2,1-3H3/t11-/m1/s1.
What are the key properties of ethyl (2R)-2-(2-chloro-5-methylphenoxy)butanoate?
ethyl (2R)-2-(2-chloro-5-methylphenoxy)butanoate has a molecular weight of 256.73 g/mol, XLogP of 3.37, 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-chloro-5-methylphenoxy)butanoate is sourced from PubChem (CID 40613985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).