1-(2,5-diethoxyphenyl)ethanone

C12H16O3 — CID 4075332

IUPAC1-(2,5-diethoxyphenyl)ethanone
SMILESCCOc1ccc(OCC)c(C(C)=O)c1
InChIInChI=1S/C12H16O3/c1-4-14-10-6-7-12(15-5-2)11(8-10)9(3)13/h6-8H,4-5H2,1-3H3
InChIKeyIFLFTVAARGTQDY-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.69
Rot. Bonds5

About 1-(2,5-diethoxyphenyl)ethanone

1-(2,5-diethoxyphenyl)ethanone (PubChem CID 4075332) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(2,5-diethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2,5-diethoxyphenyl)ethanone
PubChem CID4075332
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name1-(2,5-diethoxyphenyl)ethanone
SMILESCCOc1ccc(OCC)c(C(C)=O)c1
InChIInChI=1S/C12H16O3/c1-4-14-10-6-7-12(15-5-2)11(8-10)9(3)13/h6-8H,4-5H2,1-3H3
InChIKeyIFLFTVAARGTQDY-UHFFFAOYSA-N
XLogP2.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxy-5-phenoxyphenyl)ethanone
CID 82267161
diethyl 2-[1-(2,5-diethoxyphenyl)ethylidene]propanedioate
CID 54192722
1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride
CID 23470682
2-ethoxy-5-propan-2-yloxybenzoic acid
CID 152600647
(4-aminophenyl)-(2,5-diethoxyphenyl)methanone
CID 82267801
(3-carbonochloridoyl-4-ethoxyphenyl) acetate
CID 139652500
1-(5-bromo-2,4-diethoxyphenyl)ethanone
CID 17245123
2-(2,5-diethoxyphenyl)acetic acid
CID 4685204
2,4-diethoxybenzoate
CID 6951194
2,4-diethoxybenzamide
CID 17145726
methyl 5-ethoxy-2-(2-methylprop-2-enoxy)benzoate
CID 58566599
(2,5-diethoxyphenyl)boronic acid
CID 45094210

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diethoxyphenyl)ethanone?
The IUPAC name of 1-(2,5-diethoxyphenyl)ethanone (CID 4075332) is 1-(2,5-diethoxyphenyl)ethanone.
What is the SMILES notation for 1-(2,5-diethoxyphenyl)ethanone?
The canonical SMILES for 1-(2,5-diethoxyphenyl)ethanone is CCOc1ccc(OCC)c(C(C)=O)c1.
What is the InChIKey of 1-(2,5-diethoxyphenyl)ethanone?
The InChIKey is IFLFTVAARGTQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-4-14-10-6-7-12(15-5-2)11(8-10)9(3)13/h6-8H,4-5H2,1-3H3.
What are the key properties of 1-(2,5-diethoxyphenyl)ethanone?
1-(2,5-diethoxyphenyl)ethanone has a molecular weight of 208.26 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diethoxyphenyl)ethanone is sourced from PubChem (CID 4075332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).