2-[1-hydroxy-2-(4-pyrrol-1-ylphenoxy)ethyl]phenol

C18H17NO3 — CID 71617538

IUPAC2-[1-hydroxy-2-(4-pyrrol-1-ylphenoxy)ethyl]phenol
SMILESOc1ccccc1C(O)COc1ccc(-n2cccc2)cc1
InChIInChI=1S/C18H17NO3/c20-17-6-2-1-5-16(17)18(21)13-22-15-9-7-14(8-10-15)19-11-3-4-12-19/h1-12,18,20-21H,13H2
InChIKeyGCFBXQFBOKPPIN-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.30
Rot. Bonds5

About 2-[1-hydroxy-2-(4-pyrrol-1-ylphenoxy)ethyl]phenol

2-[1-hydroxy-2-(4-pyrrol-1-ylphenoxy)ethyl]phenol (PubChem CID 71617538) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[1-hydroxy-2-(4-pyrrol-1-ylphenoxy)ethyl]phenol.

Molecular Properties

Compound Name2-[1-hydroxy-2-(4-pyrrol-1-ylphenoxy)ethyl]phenol
PubChem CID71617538
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name2-[1-hydroxy-2-(4-pyrrol-1-ylphenoxy)ethyl]phenol
SMILESOc1ccccc1C(O)COc1ccc(-n2cccc2)cc1
InChIInChI=1S/C18H17NO3/c20-17-6-2-1-5-16(17)18(21)13-22-15-9-7-14(8-10-15)19-11-3-4-12-19/h1-12,18,20-21H,13H2
InChIKeyGCFBXQFBOKPPIN-UHFFFAOYSA-N
XLogP3.30
TPSA54.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-ethylphenoxy)-1-hydroxyethyl]phenol
CID 71616839
2-[1-hydroxy-2-(3-hydroxyphenoxy)ethyl]phenol
CID 117243718
2-(2-aminooxy-1-hydroxyethyl)phenol
CID 105434025
(2-hydroxy-5-pyrrol-1-ylphenyl)methanediol
CID 54582770
1-(2-aminophenyl)-2-phenoxyethanol
CID 55055640
2-[1-hydroxy-3-(4-hydroxyphenoxy)propan-2-yl]phenol
CID 117244097
2-(4-chlorophenoxy)-1-(2-methylphenyl)ethanol
CID 113338071
1-(2-aminophenyl)-2-(4-fluorophenoxy)ethanol
CID 62267016
1-(2-methoxyphenyl)-2-(4-propylphenoxy)ethanol
CID 62549968
2-(4-chlorophenoxy)-1-(2-ethoxyphenyl)ethanol
CID 105095796
1-(2-aminophenyl)-2-(4-propoxyphenoxy)ethanol
CID 62269877
4-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzaldehyde
CID 86645072

Frequently Asked Questions

What is the IUPAC name of 2-[1-hydroxy-2-(4-pyrrol-1-ylphenoxy)ethyl]phenol?
The IUPAC name of 2-[1-hydroxy-2-(4-pyrrol-1-ylphenoxy)ethyl]phenol (CID 71617538) is 2-[1-hydroxy-2-(4-pyrrol-1-ylphenoxy)ethyl]phenol.
What is the SMILES notation for 2-[1-hydroxy-2-(4-pyrrol-1-ylphenoxy)ethyl]phenol?
The canonical SMILES for 2-[1-hydroxy-2-(4-pyrrol-1-ylphenoxy)ethyl]phenol is Oc1ccccc1C(O)COc1ccc(-n2cccc2)cc1.
What is the InChIKey of 2-[1-hydroxy-2-(4-pyrrol-1-ylphenoxy)ethyl]phenol?
The InChIKey is GCFBXQFBOKPPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c20-17-6-2-1-5-16(17)18(21)13-22-15-9-7-14(8-10-15)19-11-3-4-12-19/h1-12,18,20-21H,13H2.
What are the key properties of 2-[1-hydroxy-2-(4-pyrrol-1-ylphenoxy)ethyl]phenol?
2-[1-hydroxy-2-(4-pyrrol-1-ylphenoxy)ethyl]phenol has a molecular weight of 295.34 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-hydroxy-2-(4-pyrrol-1-ylphenoxy)ethyl]phenol is sourced from PubChem (CID 71617538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).