7-(2-ethoxyethoxy)-2-morpholin-4-ylchromen-4-one

C17H21NO5 — CID 11529823

IUPAC7-(2-ethoxyethoxy)-2-morpholin-4-ylchromen-4-one
SMILESCCOCCOc1ccc2c(=O)cc(N3CCOCC3)oc2c1
InChIInChI=1S/C17H21NO5/c1-2-20-9-10-22-13-3-4-14-15(19)12-17(23-16(14)11-13)18-5-7-21-8-6-18/h3-4,11-12H,2,5-10H2,1H3
InChIKeyICGVDPFEKFHPNV-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.04
Rot. Bonds6

About 7-(2-ethoxyethoxy)-2-morpholin-4-ylchromen-4-one

7-(2-ethoxyethoxy)-2-morpholin-4-ylchromen-4-one (PubChem CID 11529823) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is 7-(2-ethoxyethoxy)-2-morpholin-4-ylchromen-4-one.

Molecular Properties

Compound Name7-(2-ethoxyethoxy)-2-morpholin-4-ylchromen-4-one
PubChem CID11529823
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC Name7-(2-ethoxyethoxy)-2-morpholin-4-ylchromen-4-one
SMILESCCOCCOc1ccc2c(=O)cc(N3CCOCC3)oc2c1
InChIInChI=1S/C17H21NO5/c1-2-20-9-10-22-13-3-4-14-15(19)12-17(23-16(14)11-13)18-5-7-21-8-6-18/h3-4,11-12H,2,5-10H2,1H3
InChIKeyICGVDPFEKFHPNV-UHFFFAOYSA-N
XLogP2.04
TPSA61.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(2-ethoxyethoxy)-2-morpholin-4-ylchromen-4-one?
The IUPAC name of 7-(2-ethoxyethoxy)-2-morpholin-4-ylchromen-4-one (CID 11529823) is 7-(2-ethoxyethoxy)-2-morpholin-4-ylchromen-4-one.
What is the SMILES notation for 7-(2-ethoxyethoxy)-2-morpholin-4-ylchromen-4-one?
The canonical SMILES for 7-(2-ethoxyethoxy)-2-morpholin-4-ylchromen-4-one is CCOCCOc1ccc2c(=O)cc(N3CCOCC3)oc2c1.
What is the InChIKey of 7-(2-ethoxyethoxy)-2-morpholin-4-ylchromen-4-one?
The InChIKey is ICGVDPFEKFHPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5/c1-2-20-9-10-22-13-3-4-14-15(19)12-17(23-16(14)11-13)18-5-7-21-8-6-18/h3-4,11-12H,2,5-10H2,1H3.
What are the key properties of 7-(2-ethoxyethoxy)-2-morpholin-4-ylchromen-4-one?
7-(2-ethoxyethoxy)-2-morpholin-4-ylchromen-4-one has a molecular weight of 319.36 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethoxyethoxy)-2-morpholin-4-ylchromen-4-one is sourced from PubChem (CID 11529823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).