(2,6-diethylphenyl) acetate

C12H16O2 — CID 23273842

IUPAC(2,6-diethylphenyl) acetate
SMILESCCc1cccc(CC)c1OC(C)=O
InChIInChI=1S/C12H16O2/c1-4-10-7-6-8-11(5-2)12(10)14-9(3)13/h6-8H,4-5H2,1-3H3
InChIKeyYFRVAXPDVOEZFI-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.74
Rot. Bonds3

About (2,6-diethylphenyl) acetate

(2,6-diethylphenyl) acetate (PubChem CID 23273842) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (2,6-diethylphenyl) acetate.

Molecular Properties

Compound Name(2,6-diethylphenyl) acetate
PubChem CID23273842
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(2,6-diethylphenyl) acetate
SMILESCCc1cccc(CC)c1OC(C)=O
InChIInChI=1S/C12H16O2/c1-4-10-7-6-8-11(5-2)12(10)14-9(3)13/h6-8H,4-5H2,1-3H3
InChIKeyYFRVAXPDVOEZFI-UHFFFAOYSA-N
XLogP2.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2,6-diethylphenyl) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(cyanomethyl)-6-ethylphenyl] acetate
CID 150549275
(2-ethyl-6-formylphenyl) acetate
CID 156902957
2-(2-acetyloxy-3-ethylphenyl)-2-oxoacetic acid
CID 73011832
(2,6-diethyl-4-methylphenyl) acetate
CID 68505166
(2,6-dihydroxyphenyl) acetate
CID 19910305
(2-methoxy-6-propylphenyl) acetate
CID 170893292
(2-acetyloxy-3-dodecylphenyl) acetate
CID 140675695
(2-acetyloxy-3,4-diethylphenyl) acetate
CID 18540629
2-acetyloxy-3-[2-[(2-acetyloxy-3-carboxyphenyl)methyl]prop-2-enyl]benzoic acid
CID 101156001
1-(2,6-diethylphenyl)ethanone
CID 14939611
(4-acetyloxyphenyl) acetate;ethanamine
CID 160806185
(2-butan-2-yl-6-propan-2-ylphenyl) acetate
CID 172616842

Frequently Asked Questions

What is the IUPAC name of (2,6-diethylphenyl) acetate?
The IUPAC name of (2,6-diethylphenyl) acetate (CID 23273842) is (2,6-diethylphenyl) acetate.
What is the SMILES notation for (2,6-diethylphenyl) acetate?
The canonical SMILES for (2,6-diethylphenyl) acetate is CCc1cccc(CC)c1OC(C)=O.
What is the InChIKey of (2,6-diethylphenyl) acetate?
The InChIKey is YFRVAXPDVOEZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-4-10-7-6-8-11(5-2)12(10)14-9(3)13/h6-8H,4-5H2,1-3H3.
What are the key properties of (2,6-diethylphenyl) acetate?
(2,6-diethylphenyl) acetate has a molecular weight of 192.26 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-diethylphenyl) acetate is sourced from PubChem (CID 23273842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).