ethyl 3-(2,4,5-trimethoxyphenyl)propanoate

C14H20O5 — CID 66702332

IUPACethyl 3-(2,4,5-trimethoxyphenyl)propanoate
SMILESCCOC(=O)CCc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C14H20O5/c1-5-19-14(15)7-6-10-8-12(17-3)13(18-4)9-11(10)16-2/h8-9H,5-7H2,1-4H3
InChIKeyUZPVWMQTSRIPCG-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.21
Rot. Bonds7

About ethyl 3-(2,4,5-trimethoxyphenyl)propanoate

ethyl 3-(2,4,5-trimethoxyphenyl)propanoate (PubChem CID 66702332) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is ethyl 3-(2,4,5-trimethoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(2,4,5-trimethoxyphenyl)propanoate
PubChem CID66702332
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Nameethyl 3-(2,4,5-trimethoxyphenyl)propanoate
SMILESCCOC(=O)CCc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C14H20O5/c1-5-19-14(15)7-6-10-8-12(17-3)13(18-4)9-11(10)16-2/h8-9H,5-7H2,1-4H3
InChIKeyUZPVWMQTSRIPCG-UHFFFAOYSA-N
XLogP2.21
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(3-methoxy-2-methylphenyl)propanoate
CID 68850412
ethyl 3-(3-ethyl-4-methoxyphenyl)propanoate
CID 58566699
ethyl 3-[2-methoxy-5-(trifluoromethoxy)phenyl]propanoate
CID 134632480
3-O-[[4-[(3-ethoxy-3-oxopropanoyl)oxymethyl]-2,5-dimethoxyphenyl]methyl] 1-O-ethyl propanedioate
CID 11201129
ethyl 3-(2-methoxy-4,6-dimethylphenyl)propanoate
CID 106681194
ethyl 3-[3-(3-ethoxy-3-oxopropyl)-4-methoxybenzoyl]benzoate
CID 14739655
ethyl 2-(4-hydroxy-2-methoxyphenyl)acetate
CID 105463832
ethyl 3-(5,6-dimethoxy-1-benzothiophen-2-yl)propanoate
CID 67872799
ethyl 2-(4-methanethioyl-2-methoxyphenyl)acetate
CID 23282572
ethyl 3-(3-hydroxy-4-methoxyphenyl)propanoate
CID 10867928
methyl 3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate
CID 12862928
ethyl 3-[5-amino-2-(2-methoxyethoxy)phenyl]propanoate
CID 146676304

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,4,5-trimethoxyphenyl)propanoate?
The IUPAC name of ethyl 3-(2,4,5-trimethoxyphenyl)propanoate (CID 66702332) is ethyl 3-(2,4,5-trimethoxyphenyl)propanoate.
What is the SMILES notation for ethyl 3-(2,4,5-trimethoxyphenyl)propanoate?
The canonical SMILES for ethyl 3-(2,4,5-trimethoxyphenyl)propanoate is CCOC(=O)CCc1cc(OC)c(OC)cc1OC.
What is the InChIKey of ethyl 3-(2,4,5-trimethoxyphenyl)propanoate?
The InChIKey is UZPVWMQTSRIPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5/c1-5-19-14(15)7-6-10-8-12(17-3)13(18-4)9-11(10)16-2/h8-9H,5-7H2,1-4H3.
What are the key properties of ethyl 3-(2,4,5-trimethoxyphenyl)propanoate?
ethyl 3-(2,4,5-trimethoxyphenyl)propanoate has a molecular weight of 268.31 g/mol, XLogP of 2.21, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,4,5-trimethoxyphenyl)propanoate is sourced from PubChem (CID 66702332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).