2-[1-hydroxy-2-(3-hydroxyphenoxy)ethyl]phenol

C14H14O4 — CID 117243718

IUPAC2-[1-hydroxy-2-(3-hydroxyphenoxy)ethyl]phenol
SMILESOc1cccc(OCC(O)c2ccccc2O)c1
InChIInChI=1S/C14H14O4/c15-10-4-3-5-11(8-10)18-9-14(17)12-6-1-2-7-13(12)16/h1-8,14-17H,9H2
InChIKeyPJTZUUFMMAWYOF-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.21
Rot. Bonds4

About 2-[1-hydroxy-2-(3-hydroxyphenoxy)ethyl]phenol

2-[1-hydroxy-2-(3-hydroxyphenoxy)ethyl]phenol (PubChem CID 117243718) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is 2-[1-hydroxy-2-(3-hydroxyphenoxy)ethyl]phenol.

Molecular Properties

Compound Name2-[1-hydroxy-2-(3-hydroxyphenoxy)ethyl]phenol
PubChem CID117243718
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name2-[1-hydroxy-2-(3-hydroxyphenoxy)ethyl]phenol
SMILESOc1cccc(OCC(O)c2ccccc2O)c1
InChIInChI=1S/C14H14O4/c15-10-4-3-5-11(8-10)18-9-14(17)12-6-1-2-7-13(12)16/h1-8,14-17H,9H2
InChIKeyPJTZUUFMMAWYOF-UHFFFAOYSA-N
XLogP2.21
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-hydroxypropoxy)phenol;2-methylpropane
CID 144531306
2-[2-(4-ethylphenoxy)-1-hydroxyethyl]phenol
CID 71616839
2-(3-fluorophenoxy)-1-(2-fluorophenyl)ethanol
CID 110885745
3-[2-hydroxy-2-(5-methylthiophen-2-yl)ethoxy]phenol
CID 117240147
3-(2-fluoropropoxy)phenol
CID 84653742
3-[2-(hydroxymethyl)-3,3-dimethylbutoxy]phenol
CID 117242401
2-(3-chlorophenoxy)-1-(2-methylphenyl)ethanol
CID 115766345
2-[1-hydroxy-2-(4-pyrrol-1-ylphenoxy)ethyl]phenol
CID 71617538
2-(2-aminooxy-1-hydroxyethyl)phenol
CID 105434025
4-[2-(3-chlorophenoxy)-1-hydroxyethyl]phenol
CID 117244629
3-(2-cyclopentyl-2-hydroxyethoxy)phenol
CID 117245767
1-(2-aminophenyl)-2-(3-ethylphenoxy)ethanol
CID 62267926

Frequently Asked Questions

What is the IUPAC name of 2-[1-hydroxy-2-(3-hydroxyphenoxy)ethyl]phenol?
The IUPAC name of 2-[1-hydroxy-2-(3-hydroxyphenoxy)ethyl]phenol (CID 117243718) is 2-[1-hydroxy-2-(3-hydroxyphenoxy)ethyl]phenol.
What is the SMILES notation for 2-[1-hydroxy-2-(3-hydroxyphenoxy)ethyl]phenol?
The canonical SMILES for 2-[1-hydroxy-2-(3-hydroxyphenoxy)ethyl]phenol is Oc1cccc(OCC(O)c2ccccc2O)c1.
What is the InChIKey of 2-[1-hydroxy-2-(3-hydroxyphenoxy)ethyl]phenol?
The InChIKey is PJTZUUFMMAWYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c15-10-4-3-5-11(8-10)18-9-14(17)12-6-1-2-7-13(12)16/h1-8,14-17H,9H2.
What are the key properties of 2-[1-hydroxy-2-(3-hydroxyphenoxy)ethyl]phenol?
2-[1-hydroxy-2-(3-hydroxyphenoxy)ethyl]phenol has a molecular weight of 246.26 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-hydroxy-2-(3-hydroxyphenoxy)ethyl]phenol is sourced from PubChem (CID 117243718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).