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

C13H18O5 — CID 151337220

IUPAC2-(3,4,5-trimethoxyphenyl)ethyl acetate
SMILESCOc1cc(CCOC(C)=O)cc(OC)c1OC
InChIInChI=1S/C13H18O5/c1-9(14)18-6-5-10-7-11(15-2)13(17-4)12(8-10)16-3/h7-8H,5-6H2,1-4H3
InChIKeyOJRMPGZSUJTCRC-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.82
Rot. Bonds6

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

2-(3,4,5-trimethoxyphenyl)ethyl acetate (PubChem CID 151337220) has the molecular formula C13H18O5 and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-(3,4,5-trimethoxyphenyl)ethyl acetate.

Molecular Properties

Compound Name2-(3,4,5-trimethoxyphenyl)ethyl acetate
PubChem CID151337220
Molecular FormulaC13H18O5
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name2-(3,4,5-trimethoxyphenyl)ethyl acetate
SMILESCOc1cc(CCOC(C)=O)cc(OC)c1OC
InChIInChI=1S/C13H18O5/c1-9(14)18-6-5-10-7-11(15-2)13(17-4)12(8-10)16-3/h7-8H,5-6H2,1-4H3
InChIKeyOJRMPGZSUJTCRC-UHFFFAOYSA-N
XLogP1.82
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl acetate
CID 11099240
2-(3-methoxy-4-methylphenyl)ethyl acetate
CID 58508848
5-(3,4,5-trimethoxyphenyl)pentan-2-one
CID 10610814
2-(3-iodo-4-methoxyphenyl)ethyl acetate
CID 121223074
propyl 3-(3,4,5-trimethoxyphenyl)propanoate
CID 56929908
3-(3,4,5-trimethoxyphenyl)propanoyl iodide
CID 152966840
3-(3,4,5-trimethoxyphenyl)propanoyl chloride
CID 14650097
N-methyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide
CID 116845027
1,2,3-trimethoxy-5-(3-methylbut-3-enyl)benzene
CID 146002715
2-amino-3-(3,4,5-trimethoxyphenyl)propanamide
CID 116850909
N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide
CID 113095956
ethyl N-[2-(3,4,5-trimethoxyphenyl)ethyl]carbamate
CID 113095674

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5-trimethoxyphenyl)ethyl acetate?
The IUPAC name of 2-(3,4,5-trimethoxyphenyl)ethyl acetate (CID 151337220) is 2-(3,4,5-trimethoxyphenyl)ethyl acetate.
What is the SMILES notation for 2-(3,4,5-trimethoxyphenyl)ethyl acetate?
The canonical SMILES for 2-(3,4,5-trimethoxyphenyl)ethyl acetate is COc1cc(CCOC(C)=O)cc(OC)c1OC.
What is the InChIKey of 2-(3,4,5-trimethoxyphenyl)ethyl acetate?
The InChIKey is OJRMPGZSUJTCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O5/c1-9(14)18-6-5-10-7-11(15-2)13(17-4)12(8-10)16-3/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-(3,4,5-trimethoxyphenyl)ethyl acetate?
2-(3,4,5-trimethoxyphenyl)ethyl acetate has a molecular weight of 254.28 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,5-trimethoxyphenyl)ethyl acetate is sourced from PubChem (CID 151337220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).