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

C18H15NO4 — CID 135485023

IUPAC3-[(2-ethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one
SMILESCCOc1ccccc1/N=C/c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C18H15NO4/c1-2-22-16-10-6-4-8-14(16)19-11-13-17(20)12-7-3-5-9-15(12)23-18(13)21/h3-11,20H,2H2,1H3/b19-11+
InChIKeyJMBVRJGLFZKWDB-YBFXNURJSA-N
MW309.32 g/mol
LogP3.65
Rot. Bonds4

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

3-[(2-ethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one (PubChem CID 135485023) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 3-[(2-ethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one.

Molecular Properties

Compound Name3-[(2-ethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one
PubChem CID135485023
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name3-[(2-ethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one
SMILESCCOc1ccccc1/N=C/c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C18H15NO4/c1-2-22-16-10-6-4-8-14(16)19-11-13-17(20)12-7-3-5-9-15(12)23-18(13)21/h3-11,20H,2H2,1H3/b19-11+
InChIKeyJMBVRJGLFZKWDB-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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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one?
The IUPAC name of 3-[(2-ethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one (CID 135485023) is 3-[(2-ethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one.
What is the SMILES notation for 3-[(2-ethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one?
The canonical SMILES for 3-[(2-ethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one is CCOc1ccccc1/N=C/c1c(O)c2ccccc2oc1=O.
What is the InChIKey of 3-[(2-ethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one?
The InChIKey is JMBVRJGLFZKWDB-YBFXNURJSA-N. The full InChI is InChI=1S/C18H15NO4/c1-2-22-16-10-6-4-8-14(16)19-11-13-17(20)12-7-3-5-9-15(12)23-18(13)21/h3-11,20H,2H2,1H3/b19-11+.
What are the key properties of 3-[(2-ethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one?
3-[(2-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-[(2-ethoxyphenyl)iminomethyl]-4-hydroxychromen-2-one is sourced from PubChem (CID 135485023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).