4-hydroxy-3-[(4-methoxyphenyl)iminomethyl]chromen-2-one

C17H13NO4 — CID 135420967

IUPAC4-hydroxy-3-[(4-methoxyphenyl)iminomethyl]chromen-2-one
SMILESCOc1ccc(/N=C/c2c(O)c3ccccc3oc2=O)cc1
InChIInChI=1S/C17H13NO4/c1-21-12-8-6-11(7-9-12)18-10-14-16(19)13-4-2-3-5-15(13)22-17(14)20/h2-10,19H,1H3/b18-10+
InChIKeyRUCHDIHJKMGHHH-VCHYOVAHSA-N
MW295.29 g/mol
LogP3.26
Rot. Bonds3

About 4-hydroxy-3-[(4-methoxyphenyl)iminomethyl]chromen-2-one

4-hydroxy-3-[(4-methoxyphenyl)iminomethyl]chromen-2-one (PubChem CID 135420967) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is 4-hydroxy-3-[(4-methoxyphenyl)iminomethyl]chromen-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[(4-methoxyphenyl)iminomethyl]chromen-2-one
PubChem CID135420967
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name4-hydroxy-3-[(4-methoxyphenyl)iminomethyl]chromen-2-one
SMILESCOc1ccc(/N=C/c2c(O)c3ccccc3oc2=O)cc1
InChIInChI=1S/C17H13NO4/c1-21-12-8-6-11(7-9-12)18-10-14-16(19)13-4-2-3-5-15(13)22-17(14)20/h2-10,19H,1H3/b18-10+
InChIKeyRUCHDIHJKMGHHH-VCHYOVAHSA-N
XLogP3.26
TPSA72.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(((4-Methoxyphenyl)methylene)amino)phenyl acetate
CID 97495
Alpha-(4-methoxyphenylimino)-O-cresol
CID 221219
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
Alpha-(4-ethoxyphenylimino)-O-cresol
CID 254418
(3E)-3-[(3,5-dimethylanilino)methylene]chroman-2,4-quinone
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

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(4-methoxyphenyl)iminomethyl]chromen-2-one?
The IUPAC name of 4-hydroxy-3-[(4-methoxyphenyl)iminomethyl]chromen-2-one (CID 135420967) is 4-hydroxy-3-[(4-methoxyphenyl)iminomethyl]chromen-2-one.
What is the SMILES notation for 4-hydroxy-3-[(4-methoxyphenyl)iminomethyl]chromen-2-one?
The canonical SMILES for 4-hydroxy-3-[(4-methoxyphenyl)iminomethyl]chromen-2-one is COc1ccc(/N=C/c2c(O)c3ccccc3oc2=O)cc1.
What is the InChIKey of 4-hydroxy-3-[(4-methoxyphenyl)iminomethyl]chromen-2-one?
The InChIKey is RUCHDIHJKMGHHH-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H13NO4/c1-21-12-8-6-11(7-9-12)18-10-14-16(19)13-4-2-3-5-15(13)22-17(14)20/h2-10,19H,1H3/b18-10+.
What are the key properties of 4-hydroxy-3-[(4-methoxyphenyl)iminomethyl]chromen-2-one?
4-hydroxy-3-[(4-methoxyphenyl)iminomethyl]chromen-2-one has a molecular weight of 295.29 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(4-methoxyphenyl)iminomethyl]chromen-2-one is sourced from PubChem (CID 135420967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).