3-[(4-ethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one

C18H15NO4 — CID 135474032

IUPAC3-[(4-ethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one
SMILESCCOc1ccc(/N=C/c2c(O)c3ccccc3oc2=O)cc1
InChIInChI=1S/C18H15NO4/c1-2-22-13-9-7-12(8-10-13)19-11-15-17(20)14-5-3-4-6-16(14)23-18(15)21/h3-11,20H,2H2,1H3/b19-11+
InChIKeyBJRQPCUIVKSONE-YBFXNURJSA-N
MW309.32 g/mol
LogP3.65
Rot. Bonds4

About 3-[(4-ethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one

3-[(4-ethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one (PubChem CID 135474032) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one
PubChem CID135474032
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name3-[(4-ethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one
SMILESCCOc1ccc(/N=C/c2c(O)c3ccccc3oc2=O)cc1
InChIInChI=1S/C18H15NO4/c1-2-22-13-9-7-12(8-10-13)19-11-15-17(20)14-5-3-4-6-16(14)23-18(15)21/h3-11,20H,2H2,1H3/b19-11+
InChIKeyBJRQPCUIVKSONE-YBFXNURJSA-N
XLogP3.65
TPSA72.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.65
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
5-(allyloxy)-2-{(E)-[(4-methoxyphenyl)imino]methyl}phenol
CID 3481556
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

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one?
The IUPAC name of 3-[(4-ethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one (CID 135474032) is 3-[(4-ethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one.
What is the SMILES notation for 3-[(4-ethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one?
The canonical SMILES for 3-[(4-ethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one is CCOc1ccc(/N=C/c2c(O)c3ccccc3oc2=O)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one?
The InChIKey is BJRQPCUIVKSONE-YBFXNURJSA-N. The full InChI is InChI=1S/C18H15NO4/c1-2-22-13-9-7-12(8-10-13)19-11-15-17(20)14-5-3-4-6-16(14)23-18(15)21/h3-11,20H,2H2,1H3/b19-11+.
What are the key properties of 3-[(4-ethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one?
3-[(4-ethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one has a molecular weight of 309.32 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one is sourced from PubChem (CID 135474032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).