1-[2-hydroxy-4-[5-hydroxypentyl(methyl)amino]phenyl]ethanone

C14H21NO3 — CID 107200376

IUPAC1-[2-hydroxy-4-[5-hydroxypentyl(methyl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(N(C)CCCCCO)cc1O
InChIInChI=1S/C14H21NO3/c1-11(17)13-7-6-12(10-14(13)18)15(2)8-4-3-5-9-16/h6-7,10,16,18H,3-5,8-9H2,1-2H3
InChIKeyQQPKYBHMLVFHFS-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.19
Rot. Bonds7

About 1-[2-hydroxy-4-[5-hydroxypentyl(methyl)amino]phenyl]ethanone

1-[2-hydroxy-4-[5-hydroxypentyl(methyl)amino]phenyl]ethanone (PubChem CID 107200376) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[2-hydroxy-4-[5-hydroxypentyl(methyl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-hydroxy-4-[5-hydroxypentyl(methyl)amino]phenyl]ethanone
PubChem CID107200376
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-[2-hydroxy-4-[5-hydroxypentyl(methyl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(N(C)CCCCCO)cc1O
InChIInChI=1S/C14H21NO3/c1-11(17)13-7-6-12(10-14(13)18)15(2)8-4-3-5-9-16/h6-7,10,16,18H,3-5,8-9H2,1-2H3
InChIKeyQQPKYBHMLVFHFS-UHFFFAOYSA-N
XLogP2.19
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-hydroxy-4-[methyl(pentyl)amino]phenyl]ethanone
CID 79600754
1-[2-hydroxy-4-[3-hydroxypropyl(propan-2-yl)amino]phenyl]ethanone
CID 79600216
2-(1-aminoethyl)-5-[5-hydroxypentyl(methyl)amino]phenol
CID 107200479
5-(N,4-dimethylanilino)pentan-1-ol
CID 62226910
4-[5-hydroxypentyl(methyl)amino]-2-(trifluoromethyl)benzenecarbothioamide
CID 107199811
1-[2-hydroxy-4-[(3-hydroxycyclobutyl)methyl-methylamino]phenyl]ethanone
CID 79600049
6-(N,3-dimethylanilino)hexan-1-ol
CID 103737894
5-[5-hydroxypentyl(methyl)amino]-2-[1-(propylamino)ethyl]phenol
CID 107200476
2-chloro-N'-hydroxy-4-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide
CID 107200030
1-[4-[methyl(pentyl)amino]-2-nitrophenyl]ethanone
CID 104529539
5-[N,3-dimethyl-4-(methylaminomethyl)anilino]pentan-1-ol
CID 107201156
1-[5-[2-hydroxyethyl(methyl)amino]-2-nitrophenyl]ethanone
CID 104613534

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-4-[5-hydroxypentyl(methyl)amino]phenyl]ethanone?
The IUPAC name of 1-[2-hydroxy-4-[5-hydroxypentyl(methyl)amino]phenyl]ethanone (CID 107200376) is 1-[2-hydroxy-4-[5-hydroxypentyl(methyl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-hydroxy-4-[5-hydroxypentyl(methyl)amino]phenyl]ethanone?
The canonical SMILES for 1-[2-hydroxy-4-[5-hydroxypentyl(methyl)amino]phenyl]ethanone is CC(=O)c1ccc(N(C)CCCCCO)cc1O.
What is the InChIKey of 1-[2-hydroxy-4-[5-hydroxypentyl(methyl)amino]phenyl]ethanone?
The InChIKey is QQPKYBHMLVFHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11(17)13-7-6-12(10-14(13)18)15(2)8-4-3-5-9-16/h6-7,10,16,18H,3-5,8-9H2,1-2H3.
What are the key properties of 1-[2-hydroxy-4-[5-hydroxypentyl(methyl)amino]phenyl]ethanone?
1-[2-hydroxy-4-[5-hydroxypentyl(methyl)amino]phenyl]ethanone has a molecular weight of 251.33 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-4-[5-hydroxypentyl(methyl)amino]phenyl]ethanone is sourced from PubChem (CID 107200376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).