ethyl 3-(3-methoxy-2-methylphenyl)propanoate

C13H18O3 — CID 68850412

IUPACethyl 3-(3-methoxy-2-methylphenyl)propanoate
SMILESCCOC(=O)CCc1cccc(OC)c1C
InChIInChI=1S/C13H18O3/c1-4-16-13(14)9-8-11-6-5-7-12(15-3)10(11)2/h5-7H,4,8-9H2,1-3H3
InChIKeyVCEGAWRJPSXBFZ-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.50
Rot. Bonds5

About ethyl 3-(3-methoxy-2-methylphenyl)propanoate

ethyl 3-(3-methoxy-2-methylphenyl)propanoate (PubChem CID 68850412) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is ethyl 3-(3-methoxy-2-methylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(3-methoxy-2-methylphenyl)propanoate
PubChem CID68850412
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Nameethyl 3-(3-methoxy-2-methylphenyl)propanoate
SMILESCCOC(=O)CCc1cccc(OC)c1C
InChIInChI=1S/C13H18O3/c1-4-16-13(14)9-8-11-6-5-7-12(15-3)10(11)2/h5-7H,4,8-9H2,1-3H3
InChIKeyVCEGAWRJPSXBFZ-UHFFFAOYSA-N
XLogP2.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[2-methoxy-3-(trifluoromethoxy)phenyl]propanoate
CID 134632476
4-(3-methoxy-2-methylphenyl)butanoic acid
CID 18626500
ethyl 3-(2-fluoro-6-methoxyphenyl)propanoate
CID 134640472
ethyl 3-[2-(methoxymethoxy)phenyl]propanoate
CID 102097984
ethyl 3-(2-chloro-6-methoxyphenyl)propanoate
CID 134632461
ethyl 3-(2,4,5-trimethoxyphenyl)propanoate
CID 66702332
2-(3-methoxy-2-methylphenyl)acetamide
CID 141044512
ethyl 3-[4-hydroxy-2-[(2-methoxyphenyl)methoxy]phenyl]propanoate
CID 139988094
ethyl 5-(2-methoxyphenyl)pentanoate;5-(2-methoxyphenyl)pentanoic acid
CID 161019500
2-(3-methoxy-2-methylphenyl)-N,N-dimethylacetamide
CID 121016369
ethane;methyl 3-(3-ethyl-2-methylphenyl)propanoate
CID 144828792
2-hydroxyethyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55563336

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-methoxy-2-methylphenyl)propanoate?
The IUPAC name of ethyl 3-(3-methoxy-2-methylphenyl)propanoate (CID 68850412) is ethyl 3-(3-methoxy-2-methylphenyl)propanoate.
What is the SMILES notation for ethyl 3-(3-methoxy-2-methylphenyl)propanoate?
The canonical SMILES for ethyl 3-(3-methoxy-2-methylphenyl)propanoate is CCOC(=O)CCc1cccc(OC)c1C.
What is the InChIKey of ethyl 3-(3-methoxy-2-methylphenyl)propanoate?
The InChIKey is VCEGAWRJPSXBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-4-16-13(14)9-8-11-6-5-7-12(15-3)10(11)2/h5-7H,4,8-9H2,1-3H3.
What are the key properties of ethyl 3-(3-methoxy-2-methylphenyl)propanoate?
ethyl 3-(3-methoxy-2-methylphenyl)propanoate has a molecular weight of 222.28 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-methoxy-2-methylphenyl)propanoate is sourced from PubChem (CID 68850412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).