2-(2-methoxyethylamino)-8-phenylchromen-4-one

C18H17NO3 — CID 20871511

IUPAC2-(2-methoxyethylamino)-8-phenylchromen-4-one
SMILESCOCCNc1cc(=O)c2cccc(-c3ccccc3)c2o1
InChIInChI=1S/C18H17NO3/c1-21-11-10-19-17-12-16(20)15-9-5-8-14(18(15)22-17)13-6-3-2-4-7-13/h2-9,12,19H,10-11H2,1H3
InChIKeyBYGSWHBSSWPXSO-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.52
Rot. Bonds5

About 2-(2-methoxyethylamino)-8-phenylchromen-4-one

2-(2-methoxyethylamino)-8-phenylchromen-4-one (PubChem CID 20871511) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-8-phenylchromen-4-one.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-8-phenylchromen-4-one
PubChem CID20871511
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name2-(2-methoxyethylamino)-8-phenylchromen-4-one
SMILESCOCCNc1cc(=O)c2cccc(-c3ccccc3)c2o1
InChIInChI=1S/C18H17NO3/c1-21-11-10-19-17-12-16(20)15-9-5-8-14(18(15)22-17)13-6-3-2-4-7-13/h2-9,12,19H,10-11H2,1H3
InChIKeyBYGSWHBSSWPXSO-UHFFFAOYSA-N
XLogP3.52
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 3973
Etafenone
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LY 303511
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CID 131255
8-(4-Acetylphenyl)-2-morpholin-4-ylchromen-4-one
CID 11710022
8-Methyl-2-morpholin-4-yl-chromen-4-one
CID 10083230
2-morpholino-8-(2-phenylethynyl)-4H-chromen-4-one
CID 10359339
8-Phenyl-2-piperidin-1-yl-chromen-4-one
CID 11185819
2-Morpholin-4-yl-6-phenyl-chromen-4-one
CID 11358716
2-Morpholin-4-yl-8-styrylchromen-4-one
CID 11709748
8-(4-Hydroxymethylphenyl)-2-morpholin-4-ylchromen-4-one
CID 11660078
2-Morpholin-4-yl-7,8,9,10-tetrahydro-benzo[h]chromen-4-one
CID 11737711

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-8-phenylchromen-4-one?
The IUPAC name of 2-(2-methoxyethylamino)-8-phenylchromen-4-one (CID 20871511) is 2-(2-methoxyethylamino)-8-phenylchromen-4-one.
What is the SMILES notation for 2-(2-methoxyethylamino)-8-phenylchromen-4-one?
The canonical SMILES for 2-(2-methoxyethylamino)-8-phenylchromen-4-one is COCCNc1cc(=O)c2cccc(-c3ccccc3)c2o1.
What is the InChIKey of 2-(2-methoxyethylamino)-8-phenylchromen-4-one?
The InChIKey is BYGSWHBSSWPXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-21-11-10-19-17-12-16(20)15-9-5-8-14(18(15)22-17)13-6-3-2-4-7-13/h2-9,12,19H,10-11H2,1H3.
What are the key properties of 2-(2-methoxyethylamino)-8-phenylchromen-4-one?
2-(2-methoxyethylamino)-8-phenylchromen-4-one has a molecular weight of 295.34 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-8-phenylchromen-4-one is sourced from PubChem (CID 20871511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).