2-[1-hydroxy-3-(4-hydroxyphenoxy)propan-2-yl]phenol

C15H16O4 — CID 117244097

IUPAC2-[1-hydroxy-3-(4-hydroxyphenoxy)propan-2-yl]phenol
SMILESOCC(COc1ccc(O)cc1)c1ccccc1O
InChIInChI=1S/C15H16O4/c16-9-11(14-3-1-2-4-15(14)18)10-19-13-7-5-12(17)6-8-13/h1-8,11,16-18H,9-10H2
InChIKeyAAQSIJHIHSJKJZ-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.25
Rot. Bonds5

About 2-[1-hydroxy-3-(4-hydroxyphenoxy)propan-2-yl]phenol

2-[1-hydroxy-3-(4-hydroxyphenoxy)propan-2-yl]phenol (PubChem CID 117244097) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[1-hydroxy-3-(4-hydroxyphenoxy)propan-2-yl]phenol.

Molecular Properties

Compound Name2-[1-hydroxy-3-(4-hydroxyphenoxy)propan-2-yl]phenol
PubChem CID117244097
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name2-[1-hydroxy-3-(4-hydroxyphenoxy)propan-2-yl]phenol
SMILESOCC(COc1ccc(O)cc1)c1ccccc1O
InChIInChI=1S/C15H16O4/c16-9-11(14-3-1-2-4-15(14)18)10-19-13-7-5-12(17)6-8-13/h1-8,11,16-18H,9-10H2
InChIKeyAAQSIJHIHSJKJZ-UHFFFAOYSA-N
XLogP2.25
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-chlorophenyl)-3-hydroxypropoxy]phenol
CID 117244973
methyl 3-(4-hydroxyphenoxy)-2-(2-hydroxyphenyl)propanoate
CID 117244441
3-(4-methylphenoxy)-2-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 117244051
4-[2-(5-chlorothiophen-2-yl)-3-hydroxypropoxy]phenol
CID 117240691
4-[2-amino-2-(2-methylphenyl)ethoxy]phenol
CID 117243730
4-[2-(hydroxymethyl)butoxy]phenol
CID 117241981
2-(1-phenoxynonan-2-yl)phenol
CID 175286505
2-[2-(4-ethylphenoxy)-1-hydroxyethyl]phenol
CID 71616839
2-(1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl)phenol
CID 117243867
3-(4-hydroxyphenoxy)-2-(2-methoxyphenyl)propanoic acid
CID 117244439
2-[1-(azepan-1-yl)-3-hydroxypropan-2-yl]phenol
CID 117243887
2-[1-hydroxy-2-(4-pyrrol-1-ylphenoxy)ethyl]phenol
CID 71617538

Frequently Asked Questions

What is the IUPAC name of 2-[1-hydroxy-3-(4-hydroxyphenoxy)propan-2-yl]phenol?
The IUPAC name of 2-[1-hydroxy-3-(4-hydroxyphenoxy)propan-2-yl]phenol (CID 117244097) is 2-[1-hydroxy-3-(4-hydroxyphenoxy)propan-2-yl]phenol.
What is the SMILES notation for 2-[1-hydroxy-3-(4-hydroxyphenoxy)propan-2-yl]phenol?
The canonical SMILES for 2-[1-hydroxy-3-(4-hydroxyphenoxy)propan-2-yl]phenol is OCC(COc1ccc(O)cc1)c1ccccc1O.
What is the InChIKey of 2-[1-hydroxy-3-(4-hydroxyphenoxy)propan-2-yl]phenol?
The InChIKey is AAQSIJHIHSJKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c16-9-11(14-3-1-2-4-15(14)18)10-19-13-7-5-12(17)6-8-13/h1-8,11,16-18H,9-10H2.
What are the key properties of 2-[1-hydroxy-3-(4-hydroxyphenoxy)propan-2-yl]phenol?
2-[1-hydroxy-3-(4-hydroxyphenoxy)propan-2-yl]phenol has a molecular weight of 260.29 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-hydroxy-3-(4-hydroxyphenoxy)propan-2-yl]phenol is sourced from PubChem (CID 117244097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).