(2,3-diethoxyphenyl) acetate

C12H16O4 — CID 19833387

IUPAC(2,3-diethoxyphenyl) acetate
SMILESCCOc1cccc(OC(C)=O)c1OCC
InChIInChI=1S/C12H16O4/c1-4-14-10-7-6-8-11(16-9(3)13)12(10)15-5-2/h6-8H,4-5H2,1-3H3
InChIKeyTZINJDCZLXCLJD-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.41
Rot. Bonds5

About (2,3-diethoxyphenyl) acetate

(2,3-diethoxyphenyl) acetate (PubChem CID 19833387) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is (2,3-diethoxyphenyl) acetate.

Molecular Properties

Compound Name(2,3-diethoxyphenyl) acetate
PubChem CID19833387
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name(2,3-diethoxyphenyl) acetate
SMILESCCOc1cccc(OC(C)=O)c1OCC
InChIInChI=1S/C12H16O4/c1-4-14-10-7-6-8-11(16-9(3)13)12(10)15-5-2/h6-8H,4-5H2,1-3H3
InChIKeyTZINJDCZLXCLJD-UHFFFAOYSA-N
XLogP2.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-ethoxy-2-propanoyloxyphenyl) propanoate
CID 90031987
2,3-diethoxyphenol;diphenylmethanone
CID 159024064
(3-ethoxy-2-propanoyloxyphenyl) propanoate;(3-methoxy-2-propanoyloxyphenyl) propanoate
CID 90032322
(2-acetyloxy-3-methoxyphenyl) acetate
CID 11564821
1,2-diethoxy-3-pentoxybenzene
CID 174527240
(2-acetyloxy-3-fluorophenyl) acetate
CID 540078
[3-[2-[(3,4,5-triethoxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate
CID 108926915
2-(2,3-diethoxyphenyl)propan-2-ol
CID 174362963
(5-acetyloxy-1-methylnaphthalen-2-yl) acetate
CID 68947092
[2-(bromomethoxy)-3-formylphenyl] acetate
CID 90920473
(7-hydroxynaphthalen-1-yl) acetate
CID 130034551
(7-methylnaphthalen-1-yl) acetate
CID 14143437

Frequently Asked Questions

What is the IUPAC name of (2,3-diethoxyphenyl) acetate?
The IUPAC name of (2,3-diethoxyphenyl) acetate (CID 19833387) is (2,3-diethoxyphenyl) acetate.
What is the SMILES notation for (2,3-diethoxyphenyl) acetate?
The canonical SMILES for (2,3-diethoxyphenyl) acetate is CCOc1cccc(OC(C)=O)c1OCC.
What is the InChIKey of (2,3-diethoxyphenyl) acetate?
The InChIKey is TZINJDCZLXCLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-4-14-10-7-6-8-11(16-9(3)13)12(10)15-5-2/h6-8H,4-5H2,1-3H3.
What are the key properties of (2,3-diethoxyphenyl) acetate?
(2,3-diethoxyphenyl) acetate has a molecular weight of 224.26 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diethoxyphenyl) acetate is sourced from PubChem (CID 19833387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).