3-[(2,5-dimethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one

C18H15NO5 — CID 135485031

IUPAC3-[(2,5-dimethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one
SMILESCOc1ccc(OC)c(/N=C/c2c(O)c3ccccc3oc2=O)c1
InChIInChI=1S/C18H15NO5/c1-22-11-7-8-16(23-2)14(9-11)19-10-13-17(20)12-5-3-4-6-15(12)24-18(13)21/h3-10,20H,1-2H3/b19-10+
InChIKeyVAYSEXFMPFYOTL-VXLYETTFSA-N
MW325.32 g/mol
LogP3.27
Rot. Bonds4

About 3-[(2,5-dimethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one

3-[(2,5-dimethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one (PubChem CID 135485031) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is 3-[(2,5-dimethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one.

Molecular Properties

Compound Name3-[(2,5-dimethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one
PubChem CID135485031
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name3-[(2,5-dimethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one
SMILESCOc1ccc(OC)c(/N=C/c2c(O)c3ccccc3oc2=O)c1
InChIInChI=1S/C18H15NO5/c1-22-11-7-8-16(23-2)14(9-11)19-10-13-17(20)12-5-3-4-6-15(12)24-18(13)21/h3-10,20H,1-2H3/b19-10+
InChIKeyVAYSEXFMPFYOTL-VXLYETTFSA-N
XLogP3.27
TPSA81.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[(2,5-dimethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-{[(Z)-(2,4-dioxo-2H-chromen-3(4H)-ylidene)methyl]amino}benzoate
CID 135417167
3-{[(3,5-Dimethylphenyl)amino]methylene}benzo[b]pyran-2,4-dione
CID 135460522
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-(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
(3E)-3-[[(4-methoxyphenyl)amino]methylidene]chroman-2,4-dione
CID 135420967
(3Z)-3-{[(4-methylphenyl)amino]methylidene}-2H-chromene-2,4(3H)-dione
CID 135454250
(3E)-3-[(2-methoxyanilino)methylidene]chromene-2,4-dione
CID 135464796
(3E)-3-[(4-ethoxyanilino)methylidene]chromene-2,4-dione
CID 135474032

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one?
The IUPAC name of 3-[(2,5-dimethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one (CID 135485031) is 3-[(2,5-dimethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one.
What is the SMILES notation for 3-[(2,5-dimethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one?
The canonical SMILES for 3-[(2,5-dimethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one is COc1ccc(OC)c(/N=C/c2c(O)c3ccccc3oc2=O)c1.
What is the InChIKey of 3-[(2,5-dimethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one?
The InChIKey is VAYSEXFMPFYOTL-VXLYETTFSA-N. The full InChI is InChI=1S/C18H15NO5/c1-22-11-7-8-16(23-2)14(9-11)19-10-13-17(20)12-5-3-4-6-15(12)24-18(13)21/h3-10,20H,1-2H3/b19-10+.
What are the key properties of 3-[(2,5-dimethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one?
3-[(2,5-dimethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one has a molecular weight of 325.32 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one is sourced from PubChem (CID 135485031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).