1-[4-(diethylamino)-2-hydroxyphenyl]ethanone

C12H17NO2 — CID 4737099

IUPAC1-[4-(diethylamino)-2-hydroxyphenyl]ethanone
SMILESCCN(CC)c1ccc(C(C)=O)c(O)c1
InChIInChI=1S/C12H17NO2/c1-4-13(5-2)10-6-7-11(9(3)14)12(15)8-10/h6-8,15H,4-5H2,1-3H3
InChIKeyXMGSEEVKZWXCFK-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.44
Rot. Bonds4

About 1-[4-(diethylamino)-2-hydroxyphenyl]ethanone

1-[4-(diethylamino)-2-hydroxyphenyl]ethanone (PubChem CID 4737099) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-[4-(diethylamino)-2-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(diethylamino)-2-hydroxyphenyl]ethanone
PubChem CID4737099
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-[4-(diethylamino)-2-hydroxyphenyl]ethanone
SMILESCCN(CC)c1ccc(C(C)=O)c(O)c1
InChIInChI=1S/C12H17NO2/c1-4-13(5-2)10-6-7-11(9(3)14)12(15)8-10/h6-8,15H,4-5H2,1-3H3
InChIKeyXMGSEEVKZWXCFK-UHFFFAOYSA-N
XLogP2.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)-2-hydroxyphenyl]ethanone?
The IUPAC name of 1-[4-(diethylamino)-2-hydroxyphenyl]ethanone (CID 4737099) is 1-[4-(diethylamino)-2-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[4-(diethylamino)-2-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[4-(diethylamino)-2-hydroxyphenyl]ethanone is CCN(CC)c1ccc(C(C)=O)c(O)c1.
What is the InChIKey of 1-[4-(diethylamino)-2-hydroxyphenyl]ethanone?
The InChIKey is XMGSEEVKZWXCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-13(5-2)10-6-7-11(9(3)14)12(15)8-10/h6-8,15H,4-5H2,1-3H3.
What are the key properties of 1-[4-(diethylamino)-2-hydroxyphenyl]ethanone?
1-[4-(diethylamino)-2-hydroxyphenyl]ethanone has a molecular weight of 207.27 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)-2-hydroxyphenyl]ethanone is sourced from PubChem (CID 4737099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).