4-hydroxy-3-(phenyliminomethyl)chromen-2-one

C16H11NO3 — CID 135405750

IUPAC4-hydroxy-3-(phenyliminomethyl)chromen-2-one
SMILESO=c1oc2ccccc2c(O)c1/C=N/c1ccccc1
InChIInChI=1S/C16H11NO3/c18-15-12-8-4-5-9-14(12)20-16(19)13(15)10-17-11-6-2-1-3-7-11/h1-10,18H/b17-10+
InChIKeyDMOOPGGQWWPLSI-LICLKQGHSA-N
MW265.27 g/mol
LogP3.25
Rot. Bonds2

About 4-hydroxy-3-(phenyliminomethyl)chromen-2-one

4-hydroxy-3-(phenyliminomethyl)chromen-2-one (PubChem CID 135405750) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 4-hydroxy-3-(phenyliminomethyl)chromen-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(phenyliminomethyl)chromen-2-one
PubChem CID135405750
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name4-hydroxy-3-(phenyliminomethyl)chromen-2-one
SMILESO=c1oc2ccccc2c(O)c1/C=N/c1ccccc1
InChIInChI=1S/C16H11NO3/c18-15-12-8-4-5-9-14(12)20-16(19)13(15)10-17-11-6-2-1-3-7-11/h1-10,18H/b17-10+
InChIKeyDMOOPGGQWWPLSI-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': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-{[(Z)-(2,4-dioxo-2H-chromen-3(4H)-ylidene)methyl]amino}benzoate
CID 135417167
4-{[(Z)-(2,4-dioxo-2H-chromen-3(4H)-ylidene)methyl]amino}benzenesulfonamide
CID 135439790
3-[(Z)-2-hydroxy-2-phenylethenyl]-2H-1,4-benzoxazin-2-one
CID 135419063
3-{[(3,5-Dimethylphenyl)amino]methylene}benzo[b]pyran-2,4-dione
CID 135460522
3-[1-(2-Ethyl-6-methyl-phenylamino)-meth-(Z)-ylidene]-chroman-2,4-dione
CID 135472686
3-[1-(4-Isopropyl-phenylamino)-meth-(Z)-ylidene]-chroman-2,4-dione
CID 135485021
3-[1-(2-Ethoxy-phenylamino)-meth-(Z)-ylidene]-chroman-2,4-dione
CID 135485023
3-[1-(2,4-Dimethyl-phenylamino)-meth-(Z)-ylidene]-chroman-2,4-dione
CID 135485029
3-{[(2,5-Dimethylphenyl)amino]methylene}benzo[b]pyran-2,4-dione
CID 135485030
3-[1-(2,5-Dimethoxy-phenylamino)-meth-(Z)-ylidene]-chroman-2,4-dione
CID 135485031
3-[1-(3-Fluoro-4-methyl-phenylamino)-meth-(Z)-ylidene]-chroman-2,4-dione
CID 135485045
2H-Chromen-2-one, 4-trifluoromethyl-7-(2-hydroxybenzylidenamino)-
CID 630507

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(phenyliminomethyl)chromen-2-one?
The IUPAC name of 4-hydroxy-3-(phenyliminomethyl)chromen-2-one (CID 135405750) is 4-hydroxy-3-(phenyliminomethyl)chromen-2-one.
What is the SMILES notation for 4-hydroxy-3-(phenyliminomethyl)chromen-2-one?
The canonical SMILES for 4-hydroxy-3-(phenyliminomethyl)chromen-2-one is O=c1oc2ccccc2c(O)c1/C=N/c1ccccc1.
What is the InChIKey of 4-hydroxy-3-(phenyliminomethyl)chromen-2-one?
The InChIKey is DMOOPGGQWWPLSI-LICLKQGHSA-N. The full InChI is InChI=1S/C16H11NO3/c18-15-12-8-4-5-9-14(12)20-16(19)13(15)10-17-11-6-2-1-3-7-11/h1-10,18H/b17-10+.
What are the key properties of 4-hydroxy-3-(phenyliminomethyl)chromen-2-one?
4-hydroxy-3-(phenyliminomethyl)chromen-2-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 4-hydroxy-3-(phenyliminomethyl)chromen-2-one is sourced from PubChem (CID 135405750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).