8-methyl-2-morpholin-4-yl-3-phenylmethoxychromen-4-one

C21H21NO4 — CID 70056265

IUPAC8-methyl-2-morpholin-4-yl-3-phenylmethoxychromen-4-one
SMILESCc1cccc2c(=O)c(OCc3ccccc3)c(N3CCOCC3)oc12
InChIInChI=1S/C21H21NO4/c1-15-6-5-9-17-18(23)20(25-14-16-7-3-2-4-8-16)21(26-19(15)17)22-10-12-24-13-11-22/h2-9H,10-14H2,1H3
InChIKeyRGWIJVMEAZTTPI-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.52
Rot. Bonds4

About 8-methyl-2-morpholin-4-yl-3-phenylmethoxychromen-4-one

8-methyl-2-morpholin-4-yl-3-phenylmethoxychromen-4-one (PubChem CID 70056265) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is 8-methyl-2-morpholin-4-yl-3-phenylmethoxychromen-4-one.

Molecular Properties

Compound Name8-methyl-2-morpholin-4-yl-3-phenylmethoxychromen-4-one
PubChem CID70056265
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name8-methyl-2-morpholin-4-yl-3-phenylmethoxychromen-4-one
SMILESCc1cccc2c(=O)c(OCc3ccccc3)c(N3CCOCC3)oc12
InChIInChI=1S/C21H21NO4/c1-15-6-5-9-17-18(23)20(25-14-16-7-3-2-4-8-16)21(26-19(15)17)22-10-12-24-13-11-22/h2-9H,10-14H2,1H3
InChIKeyRGWIJVMEAZTTPI-UHFFFAOYSA-N
XLogP3.52
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-morpholin-4-yl-3-phenylmethoxychromen-4-one?
The IUPAC name of 8-methyl-2-morpholin-4-yl-3-phenylmethoxychromen-4-one (CID 70056265) is 8-methyl-2-morpholin-4-yl-3-phenylmethoxychromen-4-one.
What is the SMILES notation for 8-methyl-2-morpholin-4-yl-3-phenylmethoxychromen-4-one?
The canonical SMILES for 8-methyl-2-morpholin-4-yl-3-phenylmethoxychromen-4-one is Cc1cccc2c(=O)c(OCc3ccccc3)c(N3CCOCC3)oc12.
What is the InChIKey of 8-methyl-2-morpholin-4-yl-3-phenylmethoxychromen-4-one?
The InChIKey is RGWIJVMEAZTTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-15-6-5-9-17-18(23)20(25-14-16-7-3-2-4-8-16)21(26-19(15)17)22-10-12-24-13-11-22/h2-9H,10-14H2,1H3.
What are the key properties of 8-methyl-2-morpholin-4-yl-3-phenylmethoxychromen-4-one?
8-methyl-2-morpholin-4-yl-3-phenylmethoxychromen-4-one has a molecular weight of 351.40 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-morpholin-4-yl-3-phenylmethoxychromen-4-one is sourced from PubChem (CID 70056265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).