methyl 3-(2-methyl-4-propoxyphenyl)propanoate

C14H20O3 — CID 82553676

IUPACmethyl 3-(2-methyl-4-propoxyphenyl)propanoate
SMILESCCCOc1ccc(CCC(=O)OC)c(C)c1
InChIInChI=1S/C14H20O3/c1-4-9-17-13-7-5-12(11(2)10-13)6-8-14(15)16-3/h5,7,10H,4,6,8-9H2,1-3H3
InChIKeyIMTMKXZHRGAJCA-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.89
Rot. Bonds6

About methyl 3-(2-methyl-4-propoxyphenyl)propanoate

methyl 3-(2-methyl-4-propoxyphenyl)propanoate (PubChem CID 82553676) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is methyl 3-(2-methyl-4-propoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-methyl-4-propoxyphenyl)propanoate
PubChem CID82553676
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Namemethyl 3-(2-methyl-4-propoxyphenyl)propanoate
SMILESCCCOc1ccc(CCC(=O)OC)c(C)c1
InChIInChI=1S/C14H20O3/c1-4-9-17-13-7-5-12(11(2)10-13)6-8-14(15)16-3/h5,7,10H,4,6,8-9H2,1-3H3
InChIKeyIMTMKXZHRGAJCA-UHFFFAOYSA-N
XLogP2.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(2,4-dipropoxyphenyl)propanoate
CID 82551369
methyl 3-[4-[(3S)-3-hydroxypentoxy]-2-methylphenyl]propanoate
CID 58753636
methyl 3-[4-(3-hydroxypentoxy)-2-methylphenyl]propanoate
CID 58753810
1-(2-methyl-4-propoxyphenyl)heptan-4-one
CID 83936884
ethyl 3-[4-(2-aminoethoxy)-2-methylphenyl]propanoate
CID 164576670
methyl 3-(4-propoxyphenyl)propanoate
CID 22949961
methyl 3-[4-[4-(4-ethylphenoxy)butan-2-yloxy]-2-methylphenyl]propanoate
CID 143007390
methyl 3-(4-ethoxy-2-ethylphenyl)propanoate
CID 82552040
methyl 3-(4-amino-2-methylphenyl)propanoate
CID 54187007
methyl 4-[2-(2-aminoethyl)-5-propoxyphenoxy]butanoate
CID 60905380
N-methyl-1-(2-methyl-4-propoxyphenyl)methanamine
CID 82553666
methyl 3-(5-phenoxy-2-propoxyphenyl)propanoate
CID 82552125

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methyl-4-propoxyphenyl)propanoate?
The IUPAC name of methyl 3-(2-methyl-4-propoxyphenyl)propanoate (CID 82553676) is methyl 3-(2-methyl-4-propoxyphenyl)propanoate.
What is the SMILES notation for methyl 3-(2-methyl-4-propoxyphenyl)propanoate?
The canonical SMILES for methyl 3-(2-methyl-4-propoxyphenyl)propanoate is CCCOc1ccc(CCC(=O)OC)c(C)c1.
What is the InChIKey of methyl 3-(2-methyl-4-propoxyphenyl)propanoate?
The InChIKey is IMTMKXZHRGAJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-9-17-13-7-5-12(11(2)10-13)6-8-14(15)16-3/h5,7,10H,4,6,8-9H2,1-3H3.
What are the key properties of methyl 3-(2-methyl-4-propoxyphenyl)propanoate?
methyl 3-(2-methyl-4-propoxyphenyl)propanoate has a molecular weight of 236.31 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methyl-4-propoxyphenyl)propanoate is sourced from PubChem (CID 82553676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).