(2-acetyloxy-3,4-diethylphenyl) acetate

C14H18O4 — CID 18540629

IUPAC(2-acetyloxy-3,4-diethylphenyl) acetate
SMILESCCc1ccc(OC(C)=O)c(OC(C)=O)c1CC
InChIInChI=1S/C14H18O4/c1-5-11-7-8-13(17-9(3)15)14(12(11)6-2)18-10(4)16/h7-8H,5-6H2,1-4H3
InChIKeyQSUGSCDVRRWYJH-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.66
Rot. Bonds4

About (2-acetyloxy-3,4-diethylphenyl) acetate

(2-acetyloxy-3,4-diethylphenyl) acetate (PubChem CID 18540629) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is (2-acetyloxy-3,4-diethylphenyl) acetate.

Molecular Properties

Compound Name(2-acetyloxy-3,4-diethylphenyl) acetate
PubChem CID18540629
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name(2-acetyloxy-3,4-diethylphenyl) acetate
SMILESCCc1ccc(OC(C)=O)c(OC(C)=O)c1CC
InChIInChI=1S/C14H18O4/c1-5-11-7-8-13(17-9(3)15)14(12(11)6-2)18-10(4)16/h7-8H,5-6H2,1-4H3
InChIKeyQSUGSCDVRRWYJH-UHFFFAOYSA-N
XLogP2.66
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.66
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-(3,4-diethyl-2-methoxyphenoxy)-3-oxopropanoic acid
CID 67244042
(2,6-diethylphenyl) acetate
CID 23273842
(2-ethyl-3-fluoro-4-methoxyphenyl) acetate
CID 18466568
(2-ethyl-6-formylphenyl) acetate
CID 156902957
(2,3,4-triethylphenoxy)boronic acid
CID 68718555
(2,6-diethyl-4-methylphenyl) acetate
CID 68505166
(2,4-diethyl-3-oxaldehydoyloxyphenyl) 2-oxoacetate
CID 19826269
(2-acetyloxy-3-iodo-4-methoxyphenyl) acetate
CID 66651996
(2-acetyloxy-3-dodecylphenyl) acetate
CID 140675695
(2-ethyl-3-propan-2-yloxyphenyl) acetate
CID 151326278
(3,4,5-triacetyloxyphenyl) acetate
CID 15689628
(2,3-diethoxyphenyl) acetate
CID 19833387

Frequently Asked Questions

What is the IUPAC name of (2-acetyloxy-3,4-diethylphenyl) acetate?
The IUPAC name of (2-acetyloxy-3,4-diethylphenyl) acetate (CID 18540629) is (2-acetyloxy-3,4-diethylphenyl) acetate.
What is the SMILES notation for (2-acetyloxy-3,4-diethylphenyl) acetate?
The canonical SMILES for (2-acetyloxy-3,4-diethylphenyl) acetate is CCc1ccc(OC(C)=O)c(OC(C)=O)c1CC.
What is the InChIKey of (2-acetyloxy-3,4-diethylphenyl) acetate?
The InChIKey is QSUGSCDVRRWYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-5-11-7-8-13(17-9(3)15)14(12(11)6-2)18-10(4)16/h7-8H,5-6H2,1-4H3.
What are the key properties of (2-acetyloxy-3,4-diethylphenyl) acetate?
(2-acetyloxy-3,4-diethylphenyl) acetate has a molecular weight of 250.29 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetyloxy-3,4-diethylphenyl) acetate is sourced from PubChem (CID 18540629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).