methyl 2-(2-methoxy-5-propylphenyl)propanoate

C14H20O3 — CID 105497841

IUPACmethyl 2-(2-methoxy-5-propylphenyl)propanoate
SMILESCCCc1ccc(OC)c(C(C)C(=O)OC)c1
InChIInChI=1S/C14H20O3/c1-5-6-11-7-8-13(16-3)12(9-11)10(2)14(15)17-4/h7-10H,5-6H2,1-4H3
InChIKeyXMMFDVFSGDYUGA-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.92
Rot. Bonds5

About methyl 2-(2-methoxy-5-propylphenyl)propanoate

methyl 2-(2-methoxy-5-propylphenyl)propanoate (PubChem CID 105497841) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is methyl 2-(2-methoxy-5-propylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-methoxy-5-propylphenyl)propanoate
PubChem CID105497841
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Namemethyl 2-(2-methoxy-5-propylphenyl)propanoate
SMILESCCCc1ccc(OC)c(C(C)C(=O)OC)c1
InChIInChI=1S/C14H20O3/c1-5-6-11-7-8-13(16-3)12(9-11)10(2)14(15)17-4/h7-10H,5-6H2,1-4H3
InChIKeyXMMFDVFSGDYUGA-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-isocyanoethyl)-1-methoxy-4-propylbenzene
CID 4269004
ethyl 2-(5-hydroxy-2-methoxyphenyl)propanoate
CID 105481737
methyl (2S)-2-(2-methoxyphenyl)propanoate
CID 12867082
ethyl (2S)-2-(2-methoxyphenyl)propanoate
CID 129388209
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
2-[5-(fluoromethyl)-2-methoxyphenyl]propanoic acid
CID 84679029
methyl 2-(cyclopropylamino)-2-(5-ethyl-2-methoxyphenyl)acetate
CID 116857346
methyl 2-(3,4-diethoxyphenyl)propanoate
CID 55071930
ethyl 2-(dimethylamino)-2-(5-ethyl-2-methoxyphenyl)acetate
CID 116914250
4-(4-methoxy-3-propan-2-ylphenyl)butanoic acid
CID 10060027
propyl 2-methoxy-4-propylbenzoate
CID 175548133
methyl 2-(2-methyl-4-sulfanylphenyl)propanoate
CID 68839392

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxy-5-propylphenyl)propanoate?
The IUPAC name of methyl 2-(2-methoxy-5-propylphenyl)propanoate (CID 105497841) is methyl 2-(2-methoxy-5-propylphenyl)propanoate.
What is the SMILES notation for methyl 2-(2-methoxy-5-propylphenyl)propanoate?
The canonical SMILES for methyl 2-(2-methoxy-5-propylphenyl)propanoate is CCCc1ccc(OC)c(C(C)C(=O)OC)c1.
What is the InChIKey of methyl 2-(2-methoxy-5-propylphenyl)propanoate?
The InChIKey is XMMFDVFSGDYUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-5-6-11-7-8-13(16-3)12(9-11)10(2)14(15)17-4/h7-10H,5-6H2,1-4H3.
What are the key properties of methyl 2-(2-methoxy-5-propylphenyl)propanoate?
methyl 2-(2-methoxy-5-propylphenyl)propanoate has a molecular weight of 236.31 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxy-5-propylphenyl)propanoate is sourced from PubChem (CID 105497841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).