2-[2-(4-ethylphenoxy)-1-hydroxyethyl]phenol

C16H18O3 — CID 71616839

IUPAC2-[2-(4-ethylphenoxy)-1-hydroxyethyl]phenol
SMILESCCc1ccc(OCC(O)c2ccccc2O)cc1
InChIInChI=1S/C16H18O3/c1-2-12-7-9-13(10-8-12)19-11-16(18)14-5-3-4-6-15(14)17/h3-10,16-18H,2,11H2,1H3
InChIKeyDESDLNYLHFSDTJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.07
Rot. Bonds5

About 2-[2-(4-ethylphenoxy)-1-hydroxyethyl]phenol

2-[2-(4-ethylphenoxy)-1-hydroxyethyl]phenol (PubChem CID 71616839) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[2-(4-ethylphenoxy)-1-hydroxyethyl]phenol.

Molecular Properties

Compound Name2-[2-(4-ethylphenoxy)-1-hydroxyethyl]phenol
PubChem CID71616839
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name2-[2-(4-ethylphenoxy)-1-hydroxyethyl]phenol
SMILESCCc1ccc(OCC(O)c2ccccc2O)cc1
InChIInChI=1S/C16H18O3/c1-2-12-7-9-13(10-8-12)19-11-16(18)14-5-3-4-6-15(14)17/h3-10,16-18H,2,11H2,1H3
InChIKeyDESDLNYLHFSDTJ-UHFFFAOYSA-N
XLogP3.07
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-hydroxy-2-(4-pyrrol-1-ylphenoxy)ethyl]phenol
CID 71617538
1-(2-methoxyphenyl)-2-(4-propylphenoxy)ethanol
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2-[1-hydroxy-2-(3-hydroxyphenoxy)ethyl]phenol
CID 117243718
[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]-trimethylazanium
CID 6940355
1-(2-aminophenyl)-2-(3-ethylphenoxy)ethanol
CID 62267926
2-(4-chlorophenoxy)-1-(2-ethoxyphenyl)ethanol
CID 105095796
1-(2-aminophenyl)-2-(4-propoxyphenoxy)ethanol
CID 62269877
(2S,3S)-3-bromo-1-(4-ethylphenoxy)butan-2-ol
CID 131857038
1-ethyl-4-(4-ethylphenyl)benzene;methane;bis(1-phenoxypropan-2-ol)
CID 91213625
2-(4-chlorophenoxy)-1-(2-methylphenyl)ethanol
CID 113338071
2-(2-aminooxy-1-hydroxyethyl)phenol
CID 105434025
1-(4-ethylphenoxy)-3-(methylamino)propan-2-ol
CID 43188012

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenoxy)-1-hydroxyethyl]phenol?
The IUPAC name of 2-[2-(4-ethylphenoxy)-1-hydroxyethyl]phenol (CID 71616839) is 2-[2-(4-ethylphenoxy)-1-hydroxyethyl]phenol.
What is the SMILES notation for 2-[2-(4-ethylphenoxy)-1-hydroxyethyl]phenol?
The canonical SMILES for 2-[2-(4-ethylphenoxy)-1-hydroxyethyl]phenol is CCc1ccc(OCC(O)c2ccccc2O)cc1.
What is the InChIKey of 2-[2-(4-ethylphenoxy)-1-hydroxyethyl]phenol?
The InChIKey is DESDLNYLHFSDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-2-12-7-9-13(10-8-12)19-11-16(18)14-5-3-4-6-15(14)17/h3-10,16-18H,2,11H2,1H3.
What are the key properties of 2-[2-(4-ethylphenoxy)-1-hydroxyethyl]phenol?
2-[2-(4-ethylphenoxy)-1-hydroxyethyl]phenol has a molecular weight of 258.32 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenoxy)-1-hydroxyethyl]phenol is sourced from PubChem (CID 71616839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).