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

C16H14N2O2 — CID 135402523

IUPAC1-(3-hydroxyphenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2ccccc2)=C(O)CN1c1cccc(O)c1
InChIInChI=1S/C16H14N2O2/c17-16-15(11-5-2-1-3-6-11)14(20)10-18(16)12-7-4-8-13(19)9-12/h1-9,17,19-20H,10H2/b17-16-
InChIKeyGOEMXLHKFVVMLN-MSUUIHNZSA-N
MW266.30 g/mol
LogP3.16
Rot. Bonds2

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

1-(3-hydroxyphenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol (PubChem CID 135402523) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol
PubChem CID135402523
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name1-(3-hydroxyphenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2ccccc2)=C(O)CN1c1cccc(O)c1
InChIInChI=1S/C16H14N2O2/c17-16-15(11-5-2-1-3-6-11)14(20)10-18(16)12-7-4-8-13(19)9-12/h1-9,17,19-20H,10H2/b17-16-
InChIKeyGOEMXLHKFVVMLN-MSUUIHNZSA-N
XLogP3.16
TPSA67.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.16
H-Bond Donors ≤ 53
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-(3-hydroxyphenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol?
The IUPAC name of 1-(3-hydroxyphenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol (CID 135402523) is 1-(3-hydroxyphenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol.
What is the SMILES notation for 1-(3-hydroxyphenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol?
The canonical SMILES for 1-(3-hydroxyphenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol is [H]/N=C1/C(c2ccccc2)=C(O)CN1c1cccc(O)c1.
What is the InChIKey of 1-(3-hydroxyphenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol?
The InChIKey is GOEMXLHKFVVMLN-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H14N2O2/c17-16-15(11-5-2-1-3-6-11)14(20)10-18(16)12-7-4-8-13(19)9-12/h1-9,17,19-20H,10H2/b17-16-.
What are the key properties of 1-(3-hydroxyphenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol?
1-(3-hydroxyphenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol has a molecular weight of 266.30 g/mol, XLogP of 3.16, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-5-imino-4-phenyl-2H-pyrrol-3-ol is sourced from PubChem (CID 135402523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).