1-(4-acetyl-3,5-diethoxyphenyl)ethanone

C14H18O4 — CID 155595563

IUPAC1-(4-acetyl-3,5-diethoxyphenyl)ethanone
SMILESCCOc1cc(C(C)=O)cc(OCC)c1C(C)=O
InChIInChI=1S/C14H18O4/c1-5-17-12-7-11(9(3)15)8-13(18-6-2)14(12)10(4)16/h7-8H,5-6H2,1-4H3
InChIKeyAQEJOEYPAUZJDA-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.89
Rot. Bonds6

About 1-(4-acetyl-3,5-diethoxyphenyl)ethanone

1-(4-acetyl-3,5-diethoxyphenyl)ethanone (PubChem CID 155595563) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 1-(4-acetyl-3,5-diethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-acetyl-3,5-diethoxyphenyl)ethanone
PubChem CID155595563
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name1-(4-acetyl-3,5-diethoxyphenyl)ethanone
SMILESCCOc1cc(C(C)=O)cc(OCC)c1C(C)=O
InChIInChI=1S/C14H18O4/c1-5-17-12-7-11(9(3)15)8-13(18-6-2)14(12)10(4)16/h7-8H,5-6H2,1-4H3
InChIKeyAQEJOEYPAUZJDA-UHFFFAOYSA-N
XLogP2.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-diethoxy-6-hydroxyphenyl)ethanone
CID 819891
1-(3-bromo-5-ethoxy-4-fluorophenyl)ethanone
CID 171000856
4-acetyl-2-bromo-6-ethoxybenzaldehyde
CID 171001177
1-(2-ethoxy-4-ethyl-6-iodophenyl)ethanone
CID 171033650
1-(2-ethoxy-6-fluoro-4-iodophenyl)ethanone
CID 131310771
4-acetyl-2-ethoxy-6-iodobenzaldehyde
CID 171025015
1-[4-amino-3-(difluoromethyl)-5-ethoxyphenyl]ethanone
CID 171028104
1-[3-ethoxy-5-methyl-4-(trifluoromethyl)phenyl]ethanone
CID 171017057
1-[3,5-diethoxy-4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]ethanone
CID 155595614
1-[4-bromo-3-(difluoromethyl)-5-ethoxyphenyl]ethanone
CID 171001045
2-acetyl-3-ethoxy-5-formylbenzonitrile
CID 171031025
4-acetyl-2-chloro-6-ethoxybenzonitrile
CID 171001469

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetyl-3,5-diethoxyphenyl)ethanone?
The IUPAC name of 1-(4-acetyl-3,5-diethoxyphenyl)ethanone (CID 155595563) is 1-(4-acetyl-3,5-diethoxyphenyl)ethanone.
What is the SMILES notation for 1-(4-acetyl-3,5-diethoxyphenyl)ethanone?
The canonical SMILES for 1-(4-acetyl-3,5-diethoxyphenyl)ethanone is CCOc1cc(C(C)=O)cc(OCC)c1C(C)=O.
What is the InChIKey of 1-(4-acetyl-3,5-diethoxyphenyl)ethanone?
The InChIKey is AQEJOEYPAUZJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-5-17-12-7-11(9(3)15)8-13(18-6-2)14(12)10(4)16/h7-8H,5-6H2,1-4H3.
What are the key properties of 1-(4-acetyl-3,5-diethoxyphenyl)ethanone?
1-(4-acetyl-3,5-diethoxyphenyl)ethanone has a molecular weight of 250.29 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetyl-3,5-diethoxyphenyl)ethanone is sourced from PubChem (CID 155595563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).