7-[(4-chlorophenyl)methoxy]-2-morpholin-4-ylchromen-4-one

C20H18ClNO4 — CID 11581520

IUPAC7-[(4-chlorophenyl)methoxy]-2-morpholin-4-ylchromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2cc(OCc3ccc(Cl)cc3)ccc12
InChIInChI=1S/C20H18ClNO4/c21-15-3-1-14(2-4-15)13-25-16-5-6-17-18(23)12-20(26-19(17)11-16)22-7-9-24-10-8-22/h1-6,11-12H,7-10,13H2
InChIKeyUQHGBLJMWRLECD-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.86
Rot. Bonds4

About 7-[(4-chlorophenyl)methoxy]-2-morpholin-4-ylchromen-4-one

7-[(4-chlorophenyl)methoxy]-2-morpholin-4-ylchromen-4-one (PubChem CID 11581520) has the molecular formula C20H18ClNO4 and a molecular weight of 371.82 g/mol. Its IUPAC name is 7-[(4-chlorophenyl)methoxy]-2-morpholin-4-ylchromen-4-one.

Molecular Properties

Compound Name7-[(4-chlorophenyl)methoxy]-2-morpholin-4-ylchromen-4-one
PubChem CID11581520
Molecular FormulaC20H18ClNO4
Molecular Weight371.82 g/mol
Exact Mass371.09
IUPAC Name7-[(4-chlorophenyl)methoxy]-2-morpholin-4-ylchromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2cc(OCc3ccc(Cl)cc3)ccc12
InChIInChI=1S/C20H18ClNO4/c21-15-3-1-14(2-4-15)13-25-16-5-6-17-18(23)12-20(26-19(17)11-16)22-7-9-24-10-8-22/h1-6,11-12H,7-10,13H2
InChIKeyUQHGBLJMWRLECD-UHFFFAOYSA-N
XLogP3.86
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-chlorophenyl)methoxy]-2-morpholin-4-ylchromen-4-one?
The IUPAC name of 7-[(4-chlorophenyl)methoxy]-2-morpholin-4-ylchromen-4-one (CID 11581520) is 7-[(4-chlorophenyl)methoxy]-2-morpholin-4-ylchromen-4-one.
What is the SMILES notation for 7-[(4-chlorophenyl)methoxy]-2-morpholin-4-ylchromen-4-one?
The canonical SMILES for 7-[(4-chlorophenyl)methoxy]-2-morpholin-4-ylchromen-4-one is O=c1cc(N2CCOCC2)oc2cc(OCc3ccc(Cl)cc3)ccc12.
What is the InChIKey of 7-[(4-chlorophenyl)methoxy]-2-morpholin-4-ylchromen-4-one?
The InChIKey is UQHGBLJMWRLECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO4/c21-15-3-1-14(2-4-15)13-25-16-5-6-17-18(23)12-20(26-19(17)11-16)22-7-9-24-10-8-22/h1-6,11-12H,7-10,13H2.
What are the key properties of 7-[(4-chlorophenyl)methoxy]-2-morpholin-4-ylchromen-4-one?
7-[(4-chlorophenyl)methoxy]-2-morpholin-4-ylchromen-4-one has a molecular weight of 371.82 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-chlorophenyl)methoxy]-2-morpholin-4-ylchromen-4-one is sourced from PubChem (CID 11581520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).