3-hydroxy-4-(phenyliminomethyl)isochromen-1-one

C16H11NO3 — CID 3574691

IUPAC3-hydroxy-4-(phenyliminomethyl)isochromen-1-one
SMILESO=c1oc(O)c(/C=N/c2ccccc2)c2ccccc12
InChIInChI=1S/C16H11NO3/c18-15-13-9-5-4-8-12(13)14(16(19)20-15)10-17-11-6-2-1-3-7-11/h1-10,19H/b17-10+
InChIKeyLANPGLSELWQXEP-LICLKQGHSA-N
MW265.27 g/mol
LogP3.25
Rot. Bonds2

About 3-hydroxy-4-(phenyliminomethyl)isochromen-1-one

3-hydroxy-4-(phenyliminomethyl)isochromen-1-one (PubChem CID 3574691) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 3-hydroxy-4-(phenyliminomethyl)isochromen-1-one.

Molecular Properties

Compound Name3-hydroxy-4-(phenyliminomethyl)isochromen-1-one
PubChem CID3574691
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name3-hydroxy-4-(phenyliminomethyl)isochromen-1-one
SMILESO=c1oc(O)c(/C=N/c2ccccc2)c2ccccc12
InChIInChI=1S/C16H11NO3/c18-15-13-9-5-4-8-12(13)14(16(19)20-15)10-17-11-6-2-1-3-7-11/h1-10,19H/b17-10+
InChIKeyLANPGLSELWQXEP-LICLKQGHSA-N
XLogP3.25
TPSA62.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-hydroxy-4-(phenyliminomethyl)isochromen-1-one?
The IUPAC name of 3-hydroxy-4-(phenyliminomethyl)isochromen-1-one (CID 3574691) is 3-hydroxy-4-(phenyliminomethyl)isochromen-1-one.
What is the SMILES notation for 3-hydroxy-4-(phenyliminomethyl)isochromen-1-one?
The canonical SMILES for 3-hydroxy-4-(phenyliminomethyl)isochromen-1-one is O=c1oc(O)c(/C=N/c2ccccc2)c2ccccc12.
What is the InChIKey of 3-hydroxy-4-(phenyliminomethyl)isochromen-1-one?
The InChIKey is LANPGLSELWQXEP-LICLKQGHSA-N. The full InChI is InChI=1S/C16H11NO3/c18-15-13-9-5-4-8-12(13)14(16(19)20-15)10-17-11-6-2-1-3-7-11/h1-10,19H/b17-10+.
What are the key properties of 3-hydroxy-4-(phenyliminomethyl)isochromen-1-one?
3-hydroxy-4-(phenyliminomethyl)isochromen-1-one has a molecular weight of 265.27 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(phenyliminomethyl)isochromen-1-one is sourced from PubChem (CID 3574691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).