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

C12H17NO2 — CID 116571734

IUPAC5-amino-1-(4-hydroxyphenyl)hexan-2-one
SMILESCC(N)CCC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C12H17NO2/c1-9(13)2-5-12(15)8-10-3-6-11(14)7-4-10/h3-4,6-7,9,14H,2,5,8,13H2,1H3
InChIKeyHOHQVNCTOSADDB-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.63
Rot. Bonds5

About 5-amino-1-(4-hydroxyphenyl)hexan-2-one

5-amino-1-(4-hydroxyphenyl)hexan-2-one (PubChem CID 116571734) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 5-amino-1-(4-hydroxyphenyl)hexan-2-one.

Molecular Properties

Compound Name5-amino-1-(4-hydroxyphenyl)hexan-2-one
PubChem CID116571734
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name5-amino-1-(4-hydroxyphenyl)hexan-2-one
SMILESCC(N)CCC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C12H17NO2/c1-9(13)2-5-12(15)8-10-3-6-11(14)7-4-10/h3-4,6-7,9,14H,2,5,8,13H2,1H3
InChIKeyHOHQVNCTOSADDB-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

5-amino-1-(4-tert-butylphenyl)hexan-2-one
CID 116571711
4-amino-1-(4-hydroxyphenyl)pentan-2-one
CID 116555956
4-amino-1-(4-hydroxyphenyl)pentan-1-one
CID 155205061
6-amino-1-(4-bromophenyl)heptan-2-one
CID 116610163
1,3-bis(4-hydroxyphenyl)propan-2-one
CID 159297209
4-amino-1-(4-hydroxyphenyl)hexan-2-one
CID 116609109
(2R)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one
CID 139478348
5-amino-1-(5-ethyl-2-pyridinyl)hexan-2-one
CID 116571567
7-amino-1-(4-hydroxyphenyl)heptan-2-one
CID 116550069
3-hydroxy-1-(4-hydroxyphenyl)butan-2-one
CID 66599101
3-amino-1-(4-hydroxyphenyl)-5-methylhexan-2-one
CID 116553588
5-amino-1-(2,4-dichlorophenyl)hexan-2-one
CID 116571543

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-hydroxyphenyl)hexan-2-one?
The IUPAC name of 5-amino-1-(4-hydroxyphenyl)hexan-2-one (CID 116571734) is 5-amino-1-(4-hydroxyphenyl)hexan-2-one.
What is the SMILES notation for 5-amino-1-(4-hydroxyphenyl)hexan-2-one?
The canonical SMILES for 5-amino-1-(4-hydroxyphenyl)hexan-2-one is CC(N)CCC(=O)Cc1ccc(O)cc1.
What is the InChIKey of 5-amino-1-(4-hydroxyphenyl)hexan-2-one?
The InChIKey is HOHQVNCTOSADDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(13)2-5-12(15)8-10-3-6-11(14)7-4-10/h3-4,6-7,9,14H,2,5,8,13H2,1H3.
What are the key properties of 5-amino-1-(4-hydroxyphenyl)hexan-2-one?
5-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 5-amino-1-(4-hydroxyphenyl)hexan-2-one is sourced from PubChem (CID 116571734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).