1-(4-ethoxyphenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol

C18H18N2O2 — CID 135439899

IUPAC1-(4-ethoxyphenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2ccccc2)=C(O)CN1c1ccc(OCC)cc1
InChIInChI=1S/C18H18N2O2/c1-2-22-15-10-8-14(9-11-15)20-12-16(21)17(18(20)19)13-6-4-3-5-7-13/h3-11,19,21H,2,12H2,1H3/b19-18-
InChIKeyXBORKLDSVODNMF-HNENSFHCSA-N
MW294.35 g/mol
LogP3.85
Rot. Bonds4

About 1-(4-ethoxyphenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol

1-(4-ethoxyphenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol (PubChem CID 135439899) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol
PubChem CID135439899
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name1-(4-ethoxyphenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2ccccc2)=C(O)CN1c1ccc(OCC)cc1
InChIInChI=1S/C18H18N2O2/c1-2-22-15-10-8-14(9-11-15)20-12-16(21)17(18(20)19)13-6-4-3-5-7-13/h3-11,19,21H,2,12H2,1H3/b19-18-
InChIKeyXBORKLDSVODNMF-HNENSFHCSA-N
XLogP3.85
TPSA56.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol?
The IUPAC name of 1-(4-ethoxyphenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol (CID 135439899) is 1-(4-ethoxyphenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol.
What is the SMILES notation for 1-(4-ethoxyphenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol?
The canonical SMILES for 1-(4-ethoxyphenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol is [H]/N=C1/C(c2ccccc2)=C(O)CN1c1ccc(OCC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol?
The InChIKey is XBORKLDSVODNMF-HNENSFHCSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-2-22-15-10-8-14(9-11-15)20-12-16(21)17(18(20)19)13-6-4-3-5-7-13/h3-11,19,21H,2,12H2,1H3/b19-18-.
What are the key properties of 1-(4-ethoxyphenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol?
1-(4-ethoxyphenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol has a molecular weight of 294.35 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol is sourced from PubChem (CID 135439899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).