1-(5-ethoxy-4-ethyl-2-hydroxyphenyl)ethanone

C12H16O3 — CID 171033647

IUPAC1-(5-ethoxy-4-ethyl-2-hydroxyphenyl)ethanone
SMILESCCOc1cc(C(C)=O)c(O)cc1CC
InChIInChI=1S/C12H16O3/c1-4-9-6-11(14)10(8(3)13)7-12(9)15-5-2/h6-7,14H,4-5H2,1-3H3
InChIKeyKXDSFYNNGUAUBB-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.56
Rot. Bonds4

About 1-(5-ethoxy-4-ethyl-2-hydroxyphenyl)ethanone

1-(5-ethoxy-4-ethyl-2-hydroxyphenyl)ethanone (PubChem CID 171033647) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(5-ethoxy-4-ethyl-2-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(5-ethoxy-4-ethyl-2-hydroxyphenyl)ethanone
PubChem CID171033647
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name1-(5-ethoxy-4-ethyl-2-hydroxyphenyl)ethanone
SMILESCCOc1cc(C(C)=O)c(O)cc1CC
InChIInChI=1S/C12H16O3/c1-4-9-6-11(14)10(8(3)13)7-12(9)15-5-2/h6-7,14H,4-5H2,1-3H3
InChIKeyKXDSFYNNGUAUBB-UHFFFAOYSA-N
XLogP2.56
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-bromopropoxy)-5-ethyl-2-hydroxyphenyl]ethanone
CID 14820100
1-(4-amino-5-ethoxy-2-ethylphenyl)ethanone
CID 171034047
1-(5-ethyl-2-hydroxy-4-methylphenyl)ethanone
CID 22089064
1-(2,4-dichloro-5-ethoxyphenyl)ethanone
CID 171007863
4-ethoxy-5-ethyl-2-hydroxybenzaldehyde
CID 22039501
6-(4-acetyl-2-ethyl-5-hydroxyphenoxy)-2,2-dimethylhexanenitrile
CID 15747301
1-(5-bromo-2,4-diethoxyphenyl)ethanone
CID 17245123
1-(2,5-diethoxyphenyl)ethanone
CID 4075332
[5-[(5-benzoyl-2-ethoxy-4-hydroxyphenyl)methyl]-4-ethoxy-2-hydroxyphenyl]-phenylmethanone
CID 22643675
1-[4-(4-ethoxyphenyl)-2-hydroxyphenyl]ethanone
CID 3584432
1-(4-amino-2-hydroxy-5-methoxyphenyl)ethanone
CID 131302310
1-(4-amino-2-ethoxyphenyl)ethanone
CID 53402816

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-4-ethyl-2-hydroxyphenyl)ethanone?
The IUPAC name of 1-(5-ethoxy-4-ethyl-2-hydroxyphenyl)ethanone (CID 171033647) is 1-(5-ethoxy-4-ethyl-2-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(5-ethoxy-4-ethyl-2-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(5-ethoxy-4-ethyl-2-hydroxyphenyl)ethanone is CCOc1cc(C(C)=O)c(O)cc1CC.
What is the InChIKey of 1-(5-ethoxy-4-ethyl-2-hydroxyphenyl)ethanone?
The InChIKey is KXDSFYNNGUAUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-4-9-6-11(14)10(8(3)13)7-12(9)15-5-2/h6-7,14H,4-5H2,1-3H3.
What are the key properties of 1-(5-ethoxy-4-ethyl-2-hydroxyphenyl)ethanone?
1-(5-ethoxy-4-ethyl-2-hydroxyphenyl)ethanone has a molecular weight of 208.26 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxy-4-ethyl-2-hydroxyphenyl)ethanone is sourced from PubChem (CID 171033647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).