7-[2-(4-chlorophenoxy)ethoxy]-2-morpholin-4-ylchromen-4-one

C21H20ClNO5 — CID 11574915

IUPAC7-[2-(4-chlorophenoxy)ethoxy]-2-morpholin-4-ylchromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2cc(OCCOc3ccc(Cl)cc3)ccc12
InChIInChI=1S/C21H20ClNO5/c22-15-1-3-16(4-2-15)26-11-12-27-17-5-6-18-19(24)14-21(28-20(18)13-17)23-7-9-25-10-8-23/h1-6,13-14H,7-12H2
InChIKeyPPNXLGVCSYWCSZ-UHFFFAOYSA-N
MW401.85 g/mol
LogP3.74
Rot. Bonds6

About 7-[2-(4-chlorophenoxy)ethoxy]-2-morpholin-4-ylchromen-4-one

7-[2-(4-chlorophenoxy)ethoxy]-2-morpholin-4-ylchromen-4-one (PubChem CID 11574915) has the molecular formula C21H20ClNO5 and a molecular weight of 401.85 g/mol. Its IUPAC name is 7-[2-(4-chlorophenoxy)ethoxy]-2-morpholin-4-ylchromen-4-one.

Molecular Properties

Compound Name7-[2-(4-chlorophenoxy)ethoxy]-2-morpholin-4-ylchromen-4-one
PubChem CID11574915
Molecular FormulaC21H20ClNO5
Molecular Weight401.85 g/mol
Exact Mass401.10
IUPAC Name7-[2-(4-chlorophenoxy)ethoxy]-2-morpholin-4-ylchromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2cc(OCCOc3ccc(Cl)cc3)ccc12
InChIInChI=1S/C21H20ClNO5/c22-15-1-3-16(4-2-15)26-11-12-27-17-5-6-18-19(24)14-21(28-20(18)13-17)23-7-9-25-10-8-23/h1-6,13-14H,7-12H2
InChIKeyPPNXLGVCSYWCSZ-UHFFFAOYSA-N
XLogP3.74
TPSA61.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 53.74
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-(4-chlorophenoxy)ethoxy]-2-morpholin-4-ylchromen-4-one?
The IUPAC name of 7-[2-(4-chlorophenoxy)ethoxy]-2-morpholin-4-ylchromen-4-one (CID 11574915) is 7-[2-(4-chlorophenoxy)ethoxy]-2-morpholin-4-ylchromen-4-one.
What is the SMILES notation for 7-[2-(4-chlorophenoxy)ethoxy]-2-morpholin-4-ylchromen-4-one?
The canonical SMILES for 7-[2-(4-chlorophenoxy)ethoxy]-2-morpholin-4-ylchromen-4-one is O=c1cc(N2CCOCC2)oc2cc(OCCOc3ccc(Cl)cc3)ccc12.
What is the InChIKey of 7-[2-(4-chlorophenoxy)ethoxy]-2-morpholin-4-ylchromen-4-one?
The InChIKey is PPNXLGVCSYWCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO5/c22-15-1-3-16(4-2-15)26-11-12-27-17-5-6-18-19(24)14-21(28-20(18)13-17)23-7-9-25-10-8-23/h1-6,13-14H,7-12H2.
What are the key properties of 7-[2-(4-chlorophenoxy)ethoxy]-2-morpholin-4-ylchromen-4-one?
7-[2-(4-chlorophenoxy)ethoxy]-2-morpholin-4-ylchromen-4-one has a molecular weight of 401.85 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-chlorophenoxy)ethoxy]-2-morpholin-4-ylchromen-4-one is sourced from PubChem (CID 11574915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).