7-hydroxy-8-[(4-methoxyphenyl)iminomethyl]-4-methylchromen-2-one

C18H15NO4 — CID 135799900

IUPAC7-hydroxy-8-[(4-methoxyphenyl)iminomethyl]-4-methylchromen-2-one
SMILESCOc1ccc(/N=C/c2c(O)ccc3c(C)cc(=O)oc23)cc1
InChIInChI=1S/C18H15NO4/c1-11-9-17(21)23-18-14(11)7-8-16(20)15(18)10-19-12-3-5-13(22-2)6-4-12/h3-10,20H,1-2H3/b19-10+
InChIKeyDSSVLUPQONOXGV-VXLYETTFSA-N
MW309.32 g/mol
LogP3.57
Rot. Bonds3

About 7-hydroxy-8-[(4-methoxyphenyl)iminomethyl]-4-methylchromen-2-one

7-hydroxy-8-[(4-methoxyphenyl)iminomethyl]-4-methylchromen-2-one (PubChem CID 135799900) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 7-hydroxy-8-[(4-methoxyphenyl)iminomethyl]-4-methylchromen-2-one.

Molecular Properties

Compound Name7-hydroxy-8-[(4-methoxyphenyl)iminomethyl]-4-methylchromen-2-one
PubChem CID135799900
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name7-hydroxy-8-[(4-methoxyphenyl)iminomethyl]-4-methylchromen-2-one
SMILESCOc1ccc(/N=C/c2c(O)ccc3c(C)cc(=O)oc23)cc1
InChIInChI=1S/C18H15NO4/c1-11-9-17(21)23-18-14(11)7-8-16(20)15(18)10-19-12-3-5-13(22-2)6-4-12/h3-10,20H,1-2H3/b19-10+
InChIKeyDSSVLUPQONOXGV-VXLYETTFSA-N
XLogP3.57
TPSA72.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.57
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

7-hydroxy-8-[(3-hydroxy-2-pyridinyl)iminomethyl]-4-methylchromen-2-one
CID 155294759
7-hydroxy-4-methyl-8-[(4-methylphenyl)diazenyl]chromen-2-one
CID 135758956
4-bromo-2-hydroxy-N-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)methylideneamino]benzamide
CID 135486266
7-hydroxy-2-(4-methoxyphenyl)-3-methyl-4-oxochromene-8-carbaldehyde
CID 46236305
3-methoxy-2-[(4-methoxyphenyl)iminomethyl]phenol
CID 137098219
7-hydroxy-4-methyl-8-[[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]iminomethyl]chromen-2-one
CID 136669458
10-[(4-methoxyphenyl)iminomethyl]anthracene-1,8,9-triol
CID 135462299
3-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-[(4-methylphenyl)iminomethyl]isoquinolin-1-one
CID 1212496
2-(4-methoxyphenyl)-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one
CID 134912266
4-methyl-8-[[8-[(4-methyl-7-oxido-2-oxochromen-8-yl)methylideneamino]naphthalen-1-yl]iminomethyl]-2-oxochromen-7-olate;nickel(2+)
CID 86573801
(4-methyl-2-oxochromen-7-yl) 4-[(4-methoxyphenyl)diazenyl]benzoate
CID 101178853
1-(2,5-dimethylfuran-3-yl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine
CID 956032

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-8-[(4-methoxyphenyl)iminomethyl]-4-methylchromen-2-one?
The IUPAC name of 7-hydroxy-8-[(4-methoxyphenyl)iminomethyl]-4-methylchromen-2-one (CID 135799900) is 7-hydroxy-8-[(4-methoxyphenyl)iminomethyl]-4-methylchromen-2-one.
What is the SMILES notation for 7-hydroxy-8-[(4-methoxyphenyl)iminomethyl]-4-methylchromen-2-one?
The canonical SMILES for 7-hydroxy-8-[(4-methoxyphenyl)iminomethyl]-4-methylchromen-2-one is COc1ccc(/N=C/c2c(O)ccc3c(C)cc(=O)oc23)cc1.
What is the InChIKey of 7-hydroxy-8-[(4-methoxyphenyl)iminomethyl]-4-methylchromen-2-one?
The InChIKey is DSSVLUPQONOXGV-VXLYETTFSA-N. The full InChI is InChI=1S/C18H15NO4/c1-11-9-17(21)23-18-14(11)7-8-16(20)15(18)10-19-12-3-5-13(22-2)6-4-12/h3-10,20H,1-2H3/b19-10+.
What are the key properties of 7-hydroxy-8-[(4-methoxyphenyl)iminomethyl]-4-methylchromen-2-one?
7-hydroxy-8-[(4-methoxyphenyl)iminomethyl]-4-methylchromen-2-one has a molecular weight of 309.32 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-8-[(4-methoxyphenyl)iminomethyl]-4-methylchromen-2-one is sourced from PubChem (CID 135799900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).