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

C25H35NO4 — CID 18959681

IUPAC2-cyclohexyl-6-(6-morpholin-2-ylhexoxy)chromen-4-one
SMILESO=c1cc(C2CCCCC2)oc2ccc(OCCCCCCC3CNCCO3)cc12
InChIInChI=1S/C25H35NO4/c27-23-17-25(19-8-4-3-5-9-19)30-24-12-11-20(16-22(23)24)28-14-7-2-1-6-10-21-18-26-13-15-29-21/h11-12,16-17,19,21,26H,1-10,13-15,18H2
InChIKeyMLOLUHBXPKRATR-UHFFFAOYSA-N
MW413.56 g/mol
LogP5.16
Rot. Bonds9

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

2-cyclohexyl-6-(6-morpholin-2-ylhexoxy)chromen-4-one (PubChem CID 18959681) has the molecular formula C25H35NO4 and a molecular weight of 413.56 g/mol. Its IUPAC name is 2-cyclohexyl-6-(6-morpholin-2-ylhexoxy)chromen-4-one.

Molecular Properties

Compound Name2-cyclohexyl-6-(6-morpholin-2-ylhexoxy)chromen-4-one
PubChem CID18959681
Molecular FormulaC25H35NO4
Molecular Weight413.56 g/mol
Exact Mass413.26
IUPAC Name2-cyclohexyl-6-(6-morpholin-2-ylhexoxy)chromen-4-one
SMILESO=c1cc(C2CCCCC2)oc2ccc(OCCCCCCC3CNCCO3)cc12
InChIInChI=1S/C25H35NO4/c27-23-17-25(19-8-4-3-5-9-19)30-24-12-11-20(16-22(23)24)28-14-7-2-1-6-10-21-18-26-13-15-29-21/h11-12,16-17,19,21,26H,1-10,13-15,18H2
InChIKeyMLOLUHBXPKRATR-UHFFFAOYSA-N
XLogP5.16
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.56
LogP ≤ 55.16
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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Related Compounds

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CID 67691234
2-cyclohexyl-6-(1-morpholin-2-ylhexoxy)chromen-4-one;hydrochloride
CID 67691202
2-[3-(4-nitrophenoxy)propyl]morpholine
CID 22012898
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CID 122213759
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8-(1,4-oxazepan-6-ylmethoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one;hydrochloride
CID 172896500
6-(6-piperidin-1-ylhexoxy)-2-pyridin-4-ylchromen-4-one
CID 14983050
7-hexoxy-2-(oxan-2-ylmethoxy)-1H-quinolin-4-one
CID 166529801
ethyl 6-[5-(2-ethoxycarbonyl-4-oxochromen-6-yl)oxypentoxy]-4-oxochromene-2-carboxylate
CID 154133959
6-(3-bromopropoxy)-2-phenylchromen-4-one
CID 139992556
2-(6-bromohexyl)morpholine
CID 175195484

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-(6-morpholin-2-ylhexoxy)chromen-4-one?
The IUPAC name of 2-cyclohexyl-6-(6-morpholin-2-ylhexoxy)chromen-4-one (CID 18959681) is 2-cyclohexyl-6-(6-morpholin-2-ylhexoxy)chromen-4-one.
What is the SMILES notation for 2-cyclohexyl-6-(6-morpholin-2-ylhexoxy)chromen-4-one?
The canonical SMILES for 2-cyclohexyl-6-(6-morpholin-2-ylhexoxy)chromen-4-one is O=c1cc(C2CCCCC2)oc2ccc(OCCCCCCC3CNCCO3)cc12.
What is the InChIKey of 2-cyclohexyl-6-(6-morpholin-2-ylhexoxy)chromen-4-one?
The InChIKey is MLOLUHBXPKRATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO4/c27-23-17-25(19-8-4-3-5-9-19)30-24-12-11-20(16-22(23)24)28-14-7-2-1-6-10-21-18-26-13-15-29-21/h11-12,16-17,19,21,26H,1-10,13-15,18H2.
What are the key properties of 2-cyclohexyl-6-(6-morpholin-2-ylhexoxy)chromen-4-one?
2-cyclohexyl-6-(6-morpholin-2-ylhexoxy)chromen-4-one has a molecular weight of 413.56 g/mol, XLogP of 5.16, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-(6-morpholin-2-ylhexoxy)chromen-4-one is sourced from PubChem (CID 18959681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).