4-amino-1-(4-hydroxyphenyl)hexan-2-one

C12H17NO2 — CID 116609109

IUPAC4-amino-1-(4-hydroxyphenyl)hexan-2-one
SMILESCCC(N)CC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C12H17NO2/c1-2-10(13)8-12(15)7-9-3-5-11(14)6-4-9/h3-6,10,14H,2,7-8,13H2,1H3
InChIKeyZQUBXTFXDWJAQI-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.63
Rot. Bonds5

About 4-amino-1-(4-hydroxyphenyl)hexan-2-one

4-amino-1-(4-hydroxyphenyl)hexan-2-one (PubChem CID 116609109) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-amino-1-(4-hydroxyphenyl)hexan-2-one.

Molecular Properties

Compound Name4-amino-1-(4-hydroxyphenyl)hexan-2-one
PubChem CID116609109
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-amino-1-(4-hydroxyphenyl)hexan-2-one
SMILESCCC(N)CC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C12H17NO2/c1-2-10(13)8-12(15)7-9-3-5-11(14)6-4-9/h3-6,10,14H,2,7-8,13H2,1H3
InChIKeyZQUBXTFXDWJAQI-UHFFFAOYSA-N
XLogP1.63
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(4-hydroxyphenyl)pentan-2-one
CID 116555956
1,3-bis(4-hydroxyphenyl)propan-2-one
CID 159297209
5-amino-1-(4-hydroxyphenyl)hexan-2-one
CID 116571734
3-amino-1-(4-hydroxyphenyl)-4-methylhexan-2-one
CID 116552817
4-amino-1-(4-hydroxyphenyl)-4-methylpentan-2-one
CID 116581146
4-amino-1-(3,4-dimethylphenyl)heptan-2-one
CID 116607937
4-(2-aminobutylsulfinylmethyl)phenol
CID 81189386
4-amino-1-thiophen-3-ylheptan-2-one
CID 116607941
N-(1-aminobutan-2-yl)-2-(4-hydroxyphenyl)acetamide
CID 65193879
1-(4-hydroxyphenyl)propan-2-one
CID 7019274
4-amino-6,6-dimethyl-1-[4-(trifluoromethyl)phenyl]heptan-2-one
CID 116614647
3-hydroxy-1-(4-hydroxyphenyl)butan-2-one
CID 66599101

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-hydroxyphenyl)hexan-2-one?
The IUPAC name of 4-amino-1-(4-hydroxyphenyl)hexan-2-one (CID 116609109) is 4-amino-1-(4-hydroxyphenyl)hexan-2-one.
What is the SMILES notation for 4-amino-1-(4-hydroxyphenyl)hexan-2-one?
The canonical SMILES for 4-amino-1-(4-hydroxyphenyl)hexan-2-one is CCC(N)CC(=O)Cc1ccc(O)cc1.
What is the InChIKey of 4-amino-1-(4-hydroxyphenyl)hexan-2-one?
The InChIKey is ZQUBXTFXDWJAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-10(13)8-12(15)7-9-3-5-11(14)6-4-9/h3-6,10,14H,2,7-8,13H2,1H3.
What are the key properties of 4-amino-1-(4-hydroxyphenyl)hexan-2-one?
4-amino-1-(4-hydroxyphenyl)hexan-2-one has a molecular weight of 207.27 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-hydroxyphenyl)hexan-2-one is sourced from PubChem (CID 116609109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).