2-[3-amino-2-(3-hydroxyphenyl)propoxy]phenol

C15H17NO3 — CID 117243012

IUPAC2-[3-amino-2-(3-hydroxyphenyl)propoxy]phenol
SMILESNCC(COc1ccccc1O)c1cccc(O)c1
InChIInChI=1S/C15H17NO3/c16-9-12(11-4-3-5-13(17)8-11)10-19-15-7-2-1-6-14(15)18/h1-8,12,17-18H,9-10,16H2
InChIKeyHSROOQSVHBUEQA-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.22
Rot. Bonds5

About 2-[3-amino-2-(3-hydroxyphenyl)propoxy]phenol

2-[3-amino-2-(3-hydroxyphenyl)propoxy]phenol (PubChem CID 117243012) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[3-amino-2-(3-hydroxyphenyl)propoxy]phenol.

Molecular Properties

Compound Name2-[3-amino-2-(3-hydroxyphenyl)propoxy]phenol
PubChem CID117243012
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name2-[3-amino-2-(3-hydroxyphenyl)propoxy]phenol
SMILESNCC(COc1ccccc1O)c1cccc(O)c1
InChIInChI=1S/C15H17NO3/c16-9-12(11-4-3-5-13(17)8-11)10-19-15-7-2-1-6-14(15)18/h1-8,12,17-18H,9-10,16H2
InChIKeyHSROOQSVHBUEQA-UHFFFAOYSA-N
XLogP2.22
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-amino-2-(3-chlorophenyl)propoxy]phenol
CID 117242992
2-[3-amino-2-(4-hydroxyphenyl)propoxy]phenol
CID 117244893
2-[3-amino-2-(4-methoxyphenyl)propoxy]phenol
CID 117244895
3-[1-(2-chlorophenoxy)-3-hydroxypropan-2-yl]phenol
CID 117243009
2-[3-amino-2-(2-fluorophenyl)propoxy]phenol
CID 117243970
3-(3-amino-2-pyridin-3-ylpropoxy)phenol
CID 117241277
3-(2-bromophenoxy)-2-phenylpropan-1-amine
CID 117242959
2-[1-amino-3-(2-methoxyphenoxy)propan-2-yl]phenol
CID 117243992
2-[2-(aminomethyl)-4-methylpentoxy]phenol
CID 117241878
3-[1-hydroxy-2-(2-methylphenoxy)ethyl]phenol
CID 117242661
2-[2-(aminomethyl)butoxy]phenol
CID 117241870
3-(2-ethylphenoxy)-2-phenylpropan-1-amine
CID 112516482

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-2-(3-hydroxyphenyl)propoxy]phenol?
The IUPAC name of 2-[3-amino-2-(3-hydroxyphenyl)propoxy]phenol (CID 117243012) is 2-[3-amino-2-(3-hydroxyphenyl)propoxy]phenol.
What is the SMILES notation for 2-[3-amino-2-(3-hydroxyphenyl)propoxy]phenol?
The canonical SMILES for 2-[3-amino-2-(3-hydroxyphenyl)propoxy]phenol is NCC(COc1ccccc1O)c1cccc(O)c1.
What is the InChIKey of 2-[3-amino-2-(3-hydroxyphenyl)propoxy]phenol?
The InChIKey is HSROOQSVHBUEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c16-9-12(11-4-3-5-13(17)8-11)10-19-15-7-2-1-6-14(15)18/h1-8,12,17-18H,9-10,16H2.
What are the key properties of 2-[3-amino-2-(3-hydroxyphenyl)propoxy]phenol?
2-[3-amino-2-(3-hydroxyphenyl)propoxy]phenol has a molecular weight of 259.31 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-2-(3-hydroxyphenyl)propoxy]phenol is sourced from PubChem (CID 117243012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).