5-[(2-ethoxyphenyl)diazenyl]-1H-pyrrol-2-ol

C12H13N3O2 — CID 137178675

IUPAC5-[(2-ethoxyphenyl)diazenyl]-1H-pyrrol-2-ol
SMILESCCOc1ccccc1/N=N/c1ccc(O)[nH]1
InChIInChI=1S/C12H13N3O2/c1-2-17-10-6-4-3-5-9(10)14-15-11-7-8-12(16)13-11/h3-8,13,16H,2H2,1H3/b15-14+
InChIKeyXYUHOFKVBHUBGM-CCEZHUSRSA-N
MW231.25 g/mol
LogP3.53
Rot. Bonds4

About 5-[(2-ethoxyphenyl)diazenyl]-1H-pyrrol-2-ol

5-[(2-ethoxyphenyl)diazenyl]-1H-pyrrol-2-ol (PubChem CID 137178675) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 5-[(2-ethoxyphenyl)diazenyl]-1H-pyrrol-2-ol.

Molecular Properties

Compound Name5-[(2-ethoxyphenyl)diazenyl]-1H-pyrrol-2-ol
PubChem CID137178675
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name5-[(2-ethoxyphenyl)diazenyl]-1H-pyrrol-2-ol
SMILESCCOc1ccccc1/N=N/c1ccc(O)[nH]1
InChIInChI=1S/C12H13N3O2/c1-2-17-10-6-4-3-5-9(10)14-15-11-7-8-12(16)13-11/h3-8,13,16H,2H2,1H3/b15-14+
InChIKeyXYUHOFKVBHUBGM-CCEZHUSRSA-N
XLogP3.53
TPSA69.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(2-ethoxyphenyl)-(1H-pyrrol-2-yl)diazene
CID 137178674
(2-ethoxyphenyl)-pyridin-2-yldiazene
CID 122538186
2-ethoxy-N-[(2-ethoxyphenyl)diazenyl]aniline
CID 91159930
6-[4-[(2-ethoxyphenyl)diazenyl]phenoxy]hexan-1-ol
CID 139076124
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394
4-(2-ethoxyphenyl)phenol
CID 83129672
bis(2-methoxyphenyl)diazene
CID 11947
5-[(2-ethoxyphenyl)iminomethyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione
CID 135784312
CID 57470241
CID 57470241
7-ethoxy-1H-indol-3-ol
CID 137437163
(2-ethoxyphenyl)boronic acid
CID 2734902
5-[N-(2-ethoxyphenyl)-C-methylcarbonimidoyl]-1,3-diethyl-6-hydroxy-2-sulfanylidenepyrimidin-4-one
CID 135463404

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethoxyphenyl)diazenyl]-1H-pyrrol-2-ol?
The IUPAC name of 5-[(2-ethoxyphenyl)diazenyl]-1H-pyrrol-2-ol (CID 137178675) is 5-[(2-ethoxyphenyl)diazenyl]-1H-pyrrol-2-ol.
What is the SMILES notation for 5-[(2-ethoxyphenyl)diazenyl]-1H-pyrrol-2-ol?
The canonical SMILES for 5-[(2-ethoxyphenyl)diazenyl]-1H-pyrrol-2-ol is CCOc1ccccc1/N=N/c1ccc(O)[nH]1.
What is the InChIKey of 5-[(2-ethoxyphenyl)diazenyl]-1H-pyrrol-2-ol?
The InChIKey is XYUHOFKVBHUBGM-CCEZHUSRSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-2-17-10-6-4-3-5-9(10)14-15-11-7-8-12(16)13-11/h3-8,13,16H,2H2,1H3/b15-14+.
What are the key properties of 5-[(2-ethoxyphenyl)diazenyl]-1H-pyrrol-2-ol?
5-[(2-ethoxyphenyl)diazenyl]-1H-pyrrol-2-ol has a molecular weight of 231.25 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethoxyphenyl)diazenyl]-1H-pyrrol-2-ol is sourced from PubChem (CID 137178675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).