4-(6-amino-5-hydroxyhexan-3-yl)-2-(hydroxymethyl)phenol

C13H21NO3 — CID 83920884

IUPAC4-(6-amino-5-hydroxyhexan-3-yl)-2-(hydroxymethyl)phenol
SMILESCCC(CC(O)CN)c1ccc(O)c(CO)c1
InChIInChI=1S/C13H21NO3/c1-2-9(6-12(16)7-14)10-3-4-13(17)11(5-10)8-15/h3-5,9,12,15-17H,2,6-8,14H2,1H3
InChIKeyNESYUPDNMPTXDE-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.09
Rot. Bonds6

About 4-(6-amino-5-hydroxyhexan-3-yl)-2-(hydroxymethyl)phenol

4-(6-amino-5-hydroxyhexan-3-yl)-2-(hydroxymethyl)phenol (PubChem CID 83920884) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 4-(6-amino-5-hydroxyhexan-3-yl)-2-(hydroxymethyl)phenol.

Molecular Properties

Compound Name4-(6-amino-5-hydroxyhexan-3-yl)-2-(hydroxymethyl)phenol
PubChem CID83920884
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name4-(6-amino-5-hydroxyhexan-3-yl)-2-(hydroxymethyl)phenol
SMILESCCC(CC(O)CN)c1ccc(O)c(CO)c1
InChIInChI=1S/C13H21NO3/c1-2-9(6-12(16)7-14)10-3-4-13(17)11(5-10)8-15/h3-5,9,12,15-17H,2,6-8,14H2,1H3
InChIKeyNESYUPDNMPTXDE-UHFFFAOYSA-N
XLogP1.09
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(hydroxymethyl)-4-[5-(4-hydroxyphenyl)hexan-3-yl]phenol
CID 23391465
3-[4-hydroxy-3-(hydroxymethyl)phenyl]pentanoic acid
CID 83949673
1-amino-4-(3,4-dimethoxyphenyl)hexan-2-ol
CID 83928885
1-amino-4-(4-bromo-3-methylphenyl)hexan-2-ol
CID 83936364
1-amino-4-(4-fluorophenyl)hexan-2-ol
CID 83930990
1-amino-4-(3,5-dichlorophenyl)hexan-2-ol
CID 83924872
4-[ethoxy(hydroxy)methyl]-2-(hydroxymethyl)phenol
CID 59700313
1-amino-4-(4-ethylsulfonylphenyl)hexan-2-ol
CID 83927251
2-(aminomethyl)-4-heptan-3-ylphenol
CID 174826820
4-hept-1-yn-4-yl-2-(hydroxymethyl)phenol
CID 83920854
4-[1-(1-ethyltriazol-4-yl)butan-2-yl]-2-(hydroxymethyl)phenol
CID 112717061
1-amino-4-[3-tert-butyl-4-(2-methylpropoxy)phenyl]hexan-2-ol
CID 83934628

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-5-hydroxyhexan-3-yl)-2-(hydroxymethyl)phenol?
The IUPAC name of 4-(6-amino-5-hydroxyhexan-3-yl)-2-(hydroxymethyl)phenol (CID 83920884) is 4-(6-amino-5-hydroxyhexan-3-yl)-2-(hydroxymethyl)phenol.
What is the SMILES notation for 4-(6-amino-5-hydroxyhexan-3-yl)-2-(hydroxymethyl)phenol?
The canonical SMILES for 4-(6-amino-5-hydroxyhexan-3-yl)-2-(hydroxymethyl)phenol is CCC(CC(O)CN)c1ccc(O)c(CO)c1.
What is the InChIKey of 4-(6-amino-5-hydroxyhexan-3-yl)-2-(hydroxymethyl)phenol?
The InChIKey is NESYUPDNMPTXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-2-9(6-12(16)7-14)10-3-4-13(17)11(5-10)8-15/h3-5,9,12,15-17H,2,6-8,14H2,1H3.
What are the key properties of 4-(6-amino-5-hydroxyhexan-3-yl)-2-(hydroxymethyl)phenol?
4-(6-amino-5-hydroxyhexan-3-yl)-2-(hydroxymethyl)phenol has a molecular weight of 239.31 g/mol, XLogP of 1.09, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-5-hydroxyhexan-3-yl)-2-(hydroxymethyl)phenol is sourced from PubChem (CID 83920884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).