2-cyclohexyl-6-(6-morpholin-4-ylhexoxy)chromen-4-one

C25H35NO4 — CID 14983045

IUPAC2-cyclohexyl-6-(6-morpholin-4-ylhexoxy)chromen-4-one
SMILESO=c1cc(C2CCCCC2)oc2ccc(OCCCCCCN3CCOCC3)cc12
InChIInChI=1S/C25H35NO4/c27-23-19-25(20-8-4-3-5-9-20)30-24-11-10-21(18-22(23)24)29-15-7-2-1-6-12-26-13-16-28-17-14-26/h10-11,18-20H,1-9,12-17H2
InChIKeyCWRBRGDSLCSBPC-UHFFFAOYSA-N
MW413.56 g/mol
LogP5.11
Rot. Bonds9

About 2-cyclohexyl-6-(6-morpholin-4-ylhexoxy)chromen-4-one

2-cyclohexyl-6-(6-morpholin-4-ylhexoxy)chromen-4-one (PubChem CID 14983045) has the molecular formula C25H35NO4 and a molecular weight of 413.56 g/mol. Its IUPAC name is 2-cyclohexyl-6-(6-morpholin-4-ylhexoxy)chromen-4-one.

Molecular Properties

Compound Name2-cyclohexyl-6-(6-morpholin-4-ylhexoxy)chromen-4-one
PubChem CID14983045
Molecular FormulaC25H35NO4
Molecular Weight413.56 g/mol
Exact Mass413.26
IUPAC Name2-cyclohexyl-6-(6-morpholin-4-ylhexoxy)chromen-4-one
SMILESO=c1cc(C2CCCCC2)oc2ccc(OCCCCCCN3CCOCC3)cc12
InChIInChI=1S/C25H35NO4/c27-23-19-25(20-8-4-3-5-9-20)30-24-11-10-21(18-22(23)24)29-15-7-2-1-6-12-26-13-16-28-17-14-26/h10-11,18-20H,1-9,12-17H2
InChIKeyCWRBRGDSLCSBPC-UHFFFAOYSA-N
XLogP5.11
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.56
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-cyclohexyl-6-(6-morpholin-4-ylhexoxy)chromen-4-one?
The IUPAC name of 2-cyclohexyl-6-(6-morpholin-4-ylhexoxy)chromen-4-one (CID 14983045) is 2-cyclohexyl-6-(6-morpholin-4-ylhexoxy)chromen-4-one.
What is the SMILES notation for 2-cyclohexyl-6-(6-morpholin-4-ylhexoxy)chromen-4-one?
The canonical SMILES for 2-cyclohexyl-6-(6-morpholin-4-ylhexoxy)chromen-4-one is O=c1cc(C2CCCCC2)oc2ccc(OCCCCCCN3CCOCC3)cc12.
What is the InChIKey of 2-cyclohexyl-6-(6-morpholin-4-ylhexoxy)chromen-4-one?
The InChIKey is CWRBRGDSLCSBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO4/c27-23-19-25(20-8-4-3-5-9-20)30-24-11-10-21(18-22(23)24)29-15-7-2-1-6-12-26-13-16-28-17-14-26/h10-11,18-20H,1-9,12-17H2.
What are the key properties of 2-cyclohexyl-6-(6-morpholin-4-ylhexoxy)chromen-4-one?
2-cyclohexyl-6-(6-morpholin-4-ylhexoxy)chromen-4-one has a molecular weight of 413.56 g/mol, XLogP of 5.11, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-(6-morpholin-4-ylhexoxy)chromen-4-one is sourced from PubChem (CID 14983045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).