2-[2-(2-acetyloxyethoxy)phenoxy]ethyl acetate

C14H18O6 — CID 6421422

IUPAC2-[2-(2-acetyloxyethoxy)phenoxy]ethyl acetate
SMILESCC(=O)OCCOc1ccccc1OCCOC(C)=O
InChIInChI=1S/C14H18O6/c1-11(15)17-7-9-19-13-5-3-4-6-14(13)20-10-8-18-12(2)16/h3-6H,7-10H2,1-2H3
InChIKeyGNESNBFVFXEKGQ-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.57
Rot. Bonds8

About 2-[2-(2-acetyloxyethoxy)phenoxy]ethyl acetate

2-[2-(2-acetyloxyethoxy)phenoxy]ethyl acetate (PubChem CID 6421422) has the molecular formula C14H18O6 and a molecular weight of 282.29 g/mol. Its IUPAC name is 2-[2-(2-acetyloxyethoxy)phenoxy]ethyl acetate.

Molecular Properties

Compound Name2-[2-(2-acetyloxyethoxy)phenoxy]ethyl acetate
PubChem CID6421422
Molecular FormulaC14H18O6
Molecular Weight282.29 g/mol
Exact Mass282.11
IUPAC Name2-[2-(2-acetyloxyethoxy)phenoxy]ethyl acetate
SMILESCC(=O)OCCOc1ccccc1OCCOC(C)=O
InChIInChI=1S/C14H18O6/c1-11(15)17-7-9-19-13-5-3-4-6-14(13)20-10-8-18-12(2)16/h3-6H,7-10H2,1-2H3
InChIKeyGNESNBFVFXEKGQ-UHFFFAOYSA-N
XLogP1.57
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-naphthalen-1-yloxyethyl acetate
CID 23049663
2-[2-(2-iodoethenyl)phenoxy]ethyl acetate
CID 54286183
2-(2-methoxyphenoxy)ethyl carbamate
CID 54433856
3-(2-chlorophenoxy)propyl acetate
CID 59706608
2-(4-phenylphenoxy)ethyl acetate
CID 101023594
3-(2-nitrosophenoxy)propyl acetate
CID 174907760
2-[2-[2-[2-(2-acetyloxyethoxy)ethoxy]-4-methylphenoxy]ethoxy]ethyl acetate
CID 163667516
2-phenylethyl acetate
CID 7654
2-[(3-oxo-1,2-dihydroinden-4-yl)oxy]ethyl acetate
CID 58241968
2-acetyloxyethyl 2-acetyloxybenzoate
CID 91699041
acetic acid;2-phenylethyl acetate
CID 174791962
4-(2,3-dimethylphenoxy)butyl acetate
CID 69169507

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-acetyloxyethoxy)phenoxy]ethyl acetate?
The IUPAC name of 2-[2-(2-acetyloxyethoxy)phenoxy]ethyl acetate (CID 6421422) is 2-[2-(2-acetyloxyethoxy)phenoxy]ethyl acetate.
What is the SMILES notation for 2-[2-(2-acetyloxyethoxy)phenoxy]ethyl acetate?
The canonical SMILES for 2-[2-(2-acetyloxyethoxy)phenoxy]ethyl acetate is CC(=O)OCCOc1ccccc1OCCOC(C)=O.
What is the InChIKey of 2-[2-(2-acetyloxyethoxy)phenoxy]ethyl acetate?
The InChIKey is GNESNBFVFXEKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O6/c1-11(15)17-7-9-19-13-5-3-4-6-14(13)20-10-8-18-12(2)16/h3-6H,7-10H2,1-2H3.
What are the key properties of 2-[2-(2-acetyloxyethoxy)phenoxy]ethyl acetate?
2-[2-(2-acetyloxyethoxy)phenoxy]ethyl acetate has a molecular weight of 282.29 g/mol, XLogP of 1.57, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-acetyloxyethoxy)phenoxy]ethyl acetate is sourced from PubChem (CID 6421422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).