methyl 3-(2-methoxy-4-methylphenoxy)butanoate

C13H18O4 — CID 43536054

IUPACmethyl 3-(2-methoxy-4-methylphenoxy)butanoate
SMILESCOC(=O)CC(C)Oc1ccc(C)cc1OC
InChIInChI=1S/C13H18O4/c1-9-5-6-11(12(7-9)15-3)17-10(2)8-13(14)16-4/h5-7,10H,8H2,1-4H3
InChIKeyMIWVFWLHEYLFNO-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.33
Rot. Bonds5

About methyl 3-(2-methoxy-4-methylphenoxy)butanoate

methyl 3-(2-methoxy-4-methylphenoxy)butanoate (PubChem CID 43536054) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is methyl 3-(2-methoxy-4-methylphenoxy)butanoate.

Molecular Properties

Compound Namemethyl 3-(2-methoxy-4-methylphenoxy)butanoate
PubChem CID43536054
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Namemethyl 3-(2-methoxy-4-methylphenoxy)butanoate
SMILESCOC(=O)CC(C)Oc1ccc(C)cc1OC
InChIInChI=1S/C13H18O4/c1-9-5-6-11(12(7-9)15-3)17-10(2)8-13(14)16-4/h5-7,10H,8H2,1-4H3
InChIKeyMIWVFWLHEYLFNO-UHFFFAOYSA-N
XLogP2.33
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2-methoxy-5-methylanilino)butanoate
CID 43536710
methyl 3-[4-(4-methylphenyl)phenoxy]butanoate
CID 43536216
4-(2-methoxy-4-methylphenoxy)pentan-2-amine
CID 64708300
4-(2-bromo-4-methylphenoxy)pentan-2-one
CID 64699329
methyl 3-amino-4-(2-methoxy-5-methylphenyl)butanoate
CID 82351379
methyl 3-(4-methoxyphenoxy)butanoate
CID 43536008
3-amino-2-(2-methoxy-4-methylphenoxy)propanoic acid
CID 64694661
2-(2-methoxy-4-methylphenoxy)butanehydrazide
CID 63576549
3-(2,4-dimethylphenoxy)butanamide
CID 82077472
(2-methoxy-4-methylphenyl) 3-aminopropanoate
CID 94256158
methyl 2-(2-methoxy-5-methylphenyl)sulfanylacetate
CID 117033992
methyl 3-(2-methoxy-5-methylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanoate
CID 170816204

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methoxy-4-methylphenoxy)butanoate?
The IUPAC name of methyl 3-(2-methoxy-4-methylphenoxy)butanoate (CID 43536054) is methyl 3-(2-methoxy-4-methylphenoxy)butanoate.
What is the SMILES notation for methyl 3-(2-methoxy-4-methylphenoxy)butanoate?
The canonical SMILES for methyl 3-(2-methoxy-4-methylphenoxy)butanoate is COC(=O)CC(C)Oc1ccc(C)cc1OC.
What is the InChIKey of methyl 3-(2-methoxy-4-methylphenoxy)butanoate?
The InChIKey is MIWVFWLHEYLFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-9-5-6-11(12(7-9)15-3)17-10(2)8-13(14)16-4/h5-7,10H,8H2,1-4H3.
What are the key properties of methyl 3-(2-methoxy-4-methylphenoxy)butanoate?
methyl 3-(2-methoxy-4-methylphenoxy)butanoate has a molecular weight of 238.28 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methoxy-4-methylphenoxy)butanoate is sourced from PubChem (CID 43536054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).