2-cyclohexyl-6-(1-morpholin-2-ylhexoxy)chromen-4-one;hydrochloride

C25H36ClNO4 — CID 67691202

IUPAC2-cyclohexyl-6-(1-morpholin-2-ylhexoxy)chromen-4-one;hydrochloride
SMILESCCCCCC(Oc1ccc2oc(C3CCCCC3)cc(=O)c2c1)C1CNCCO1.Cl
InChIInChI=1S/C25H35NO4.ClH/c1-2-3-5-10-23(25-17-26-13-14-28-25)29-19-11-12-22-20(15-19)21(27)16-24(30-22)18-8-6-4-7-9-18;/h11-12,15-16,18,23,25-26H,2-10,13-14,17H2,1H3;1H
InChIKeyNAKVXROKEUBCBH-UHFFFAOYSA-N
MW450.02 g/mol
LogP5.58
Rot. Bonds8

About 2-cyclohexyl-6-(1-morpholin-2-ylhexoxy)chromen-4-one;hydrochloride

2-cyclohexyl-6-(1-morpholin-2-ylhexoxy)chromen-4-one;hydrochloride (PubChem CID 67691202) has the molecular formula C25H36ClNO4 and a molecular weight of 450.02 g/mol. Its IUPAC name is 2-cyclohexyl-6-(1-morpholin-2-ylhexoxy)chromen-4-one;hydrochloride.

Molecular Properties

Compound Name2-cyclohexyl-6-(1-morpholin-2-ylhexoxy)chromen-4-one;hydrochloride
PubChem CID67691202
Molecular FormulaC25H36ClNO4
Molecular Weight450.02 g/mol
Exact Mass449.23
IUPAC Name2-cyclohexyl-6-(1-morpholin-2-ylhexoxy)chromen-4-one;hydrochloride
SMILESCCCCCC(Oc1ccc2oc(C3CCCCC3)cc(=O)c2c1)C1CNCCO1.Cl
InChIInChI=1S/C25H35NO4.ClH/c1-2-3-5-10-23(25-17-26-13-14-28-25)29-19-11-12-22-20(15-19)21(27)16-24(30-22)18-8-6-4-7-9-18;/h11-12,15-16,18,23,25-26H,2-10,13-14,17H2,1H3;1H
InChIKeyNAKVXROKEUBCBH-UHFFFAOYSA-N
XLogP5.58
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.02
LogP ≤ 55.58
H-Bond Donors ≤ 51
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-(1-morpholin-2-ylhexoxy)chromen-4-one;hydrochloride?
The IUPAC name of 2-cyclohexyl-6-(1-morpholin-2-ylhexoxy)chromen-4-one;hydrochloride (CID 67691202) is 2-cyclohexyl-6-(1-morpholin-2-ylhexoxy)chromen-4-one;hydrochloride.
What is the SMILES notation for 2-cyclohexyl-6-(1-morpholin-2-ylhexoxy)chromen-4-one;hydrochloride?
The canonical SMILES for 2-cyclohexyl-6-(1-morpholin-2-ylhexoxy)chromen-4-one;hydrochloride is CCCCCC(Oc1ccc2oc(C3CCCCC3)cc(=O)c2c1)C1CNCCO1.Cl.
What is the InChIKey of 2-cyclohexyl-6-(1-morpholin-2-ylhexoxy)chromen-4-one;hydrochloride?
The InChIKey is NAKVXROKEUBCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO4.ClH/c1-2-3-5-10-23(25-17-26-13-14-28-25)29-19-11-12-22-20(15-19)21(27)16-24(30-22)18-8-6-4-7-9-18;/h11-12,15-16,18,23,25-26H,2-10,13-14,17H2,1H3;1H.
What are the key properties of 2-cyclohexyl-6-(1-morpholin-2-ylhexoxy)chromen-4-one;hydrochloride?
2-cyclohexyl-6-(1-morpholin-2-ylhexoxy)chromen-4-one;hydrochloride has a molecular weight of 450.02 g/mol, XLogP of 5.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-(1-morpholin-2-ylhexoxy)chromen-4-one;hydrochloride is sourced from PubChem (CID 67691202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).