2-morpholin-4-yl-7-phenylmethoxychromen-4-one

C20H19NO4 — CID 11522900

IUPAC2-morpholin-4-yl-7-phenylmethoxychromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C20H19NO4/c22-18-13-20(21-8-10-23-11-9-21)25-19-12-16(6-7-17(18)19)24-14-15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2
InChIKeyKUCJYOZKCJHLND-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.21
Rot. Bonds4

About 2-morpholin-4-yl-7-phenylmethoxychromen-4-one

2-morpholin-4-yl-7-phenylmethoxychromen-4-one (PubChem CID 11522900) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-morpholin-4-yl-7-phenylmethoxychromen-4-one.

Molecular Properties

Compound Name2-morpholin-4-yl-7-phenylmethoxychromen-4-one
PubChem CID11522900
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name2-morpholin-4-yl-7-phenylmethoxychromen-4-one
SMILESO=c1cc(N2CCOCC2)oc2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C20H19NO4/c22-18-13-20(21-8-10-23-11-9-21)25-19-12-16(6-7-17(18)19)24-14-15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2
InChIKeyKUCJYOZKCJHLND-UHFFFAOYSA-N
XLogP3.21
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-7-phenylmethoxychromen-4-one?
The IUPAC name of 2-morpholin-4-yl-7-phenylmethoxychromen-4-one (CID 11522900) is 2-morpholin-4-yl-7-phenylmethoxychromen-4-one.
What is the SMILES notation for 2-morpholin-4-yl-7-phenylmethoxychromen-4-one?
The canonical SMILES for 2-morpholin-4-yl-7-phenylmethoxychromen-4-one is O=c1cc(N2CCOCC2)oc2cc(OCc3ccccc3)ccc12.
What is the InChIKey of 2-morpholin-4-yl-7-phenylmethoxychromen-4-one?
The InChIKey is KUCJYOZKCJHLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c22-18-13-20(21-8-10-23-11-9-21)25-19-12-16(6-7-17(18)19)24-14-15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2.
What are the key properties of 2-morpholin-4-yl-7-phenylmethoxychromen-4-one?
2-morpholin-4-yl-7-phenylmethoxychromen-4-one has a molecular weight of 337.38 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-7-phenylmethoxychromen-4-one is sourced from PubChem (CID 11522900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).