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

C24H27NO4 — CID 21460068

IUPAC8-butyl-2-morpholin-4-yl-7-phenylmethoxychromen-4-one
SMILESCCCCc1c(OCc2ccccc2)ccc2c(=O)cc(N3CCOCC3)oc12
InChIInChI=1S/C24H27NO4/c1-2-3-9-20-22(28-17-18-7-5-4-6-8-18)11-10-19-21(26)16-23(29-24(19)20)25-12-14-27-15-13-25/h4-8,10-11,16H,2-3,9,12-15,17H2,1H3
InChIKeyFNICGASNKNJYOY-UHFFFAOYSA-N
MW393.48 g/mol
LogP4.55
Rot. Bonds7

About 8-butyl-2-morpholin-4-yl-7-phenylmethoxychromen-4-one

8-butyl-2-morpholin-4-yl-7-phenylmethoxychromen-4-one (PubChem CID 21460068) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is 8-butyl-2-morpholin-4-yl-7-phenylmethoxychromen-4-one.

Molecular Properties

Compound Name8-butyl-2-morpholin-4-yl-7-phenylmethoxychromen-4-one
PubChem CID21460068
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name8-butyl-2-morpholin-4-yl-7-phenylmethoxychromen-4-one
SMILESCCCCc1c(OCc2ccccc2)ccc2c(=O)cc(N3CCOCC3)oc12
InChIInChI=1S/C24H27NO4/c1-2-3-9-20-22(28-17-18-7-5-4-6-8-18)11-10-19-21(26)16-23(29-24(19)20)25-12-14-27-15-13-25/h4-8,10-11,16H,2-3,9,12-15,17H2,1H3
InChIKeyFNICGASNKNJYOY-UHFFFAOYSA-N
XLogP4.55
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-butyl-2-morpholin-4-yl-7-phenylmethoxychromen-4-one?
The IUPAC name of 8-butyl-2-morpholin-4-yl-7-phenylmethoxychromen-4-one (CID 21460068) is 8-butyl-2-morpholin-4-yl-7-phenylmethoxychromen-4-one.
What is the SMILES notation for 8-butyl-2-morpholin-4-yl-7-phenylmethoxychromen-4-one?
The canonical SMILES for 8-butyl-2-morpholin-4-yl-7-phenylmethoxychromen-4-one is CCCCc1c(OCc2ccccc2)ccc2c(=O)cc(N3CCOCC3)oc12.
What is the InChIKey of 8-butyl-2-morpholin-4-yl-7-phenylmethoxychromen-4-one?
The InChIKey is FNICGASNKNJYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c1-2-3-9-20-22(28-17-18-7-5-4-6-8-18)11-10-19-21(26)16-23(29-24(19)20)25-12-14-27-15-13-25/h4-8,10-11,16H,2-3,9,12-15,17H2,1H3.
What are the key properties of 8-butyl-2-morpholin-4-yl-7-phenylmethoxychromen-4-one?
8-butyl-2-morpholin-4-yl-7-phenylmethoxychromen-4-one has a molecular weight of 393.48 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butyl-2-morpholin-4-yl-7-phenylmethoxychromen-4-one is sourced from PubChem (CID 21460068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).