1-[2-(2-morpholin-4-ylcyclohexyl)oxyphenyl]ethanone

C18H25NO3 — CID 82037392

IUPAC1-[2-(2-morpholin-4-ylcyclohexyl)oxyphenyl]ethanone
SMILESCC(=O)c1ccccc1OC1CCCCC1N1CCOCC1
InChIInChI=1S/C18H25NO3/c1-14(20)15-6-2-4-8-17(15)22-18-9-5-3-7-16(18)19-10-12-21-13-11-19/h2,4,6,8,16,18H,3,5,7,9-13H2,1H3
InChIKeyCTAXEHOXKMEFEJ-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.91
Rot. Bonds4

About 1-[2-(2-morpholin-4-ylcyclohexyl)oxyphenyl]ethanone

1-[2-(2-morpholin-4-ylcyclohexyl)oxyphenyl]ethanone (PubChem CID 82037392) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 1-[2-(2-morpholin-4-ylcyclohexyl)oxyphenyl]ethanone.

Molecular Properties

Compound Name1-[2-(2-morpholin-4-ylcyclohexyl)oxyphenyl]ethanone
PubChem CID82037392
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name1-[2-(2-morpholin-4-ylcyclohexyl)oxyphenyl]ethanone
SMILESCC(=O)c1ccccc1OC1CCCCC1N1CCOCC1
InChIInChI=1S/C18H25NO3/c1-14(20)15-6-2-4-8-17(15)22-18-9-5-3-7-16(18)19-10-12-21-13-11-19/h2,4,6,8,16,18H,3,5,7,9-13H2,1H3
InChIKeyCTAXEHOXKMEFEJ-UHFFFAOYSA-N
XLogP2.91
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-morpholin-4-ylcyclohexyl)oxyphenyl]ethanone?
The IUPAC name of 1-[2-(2-morpholin-4-ylcyclohexyl)oxyphenyl]ethanone (CID 82037392) is 1-[2-(2-morpholin-4-ylcyclohexyl)oxyphenyl]ethanone.
What is the SMILES notation for 1-[2-(2-morpholin-4-ylcyclohexyl)oxyphenyl]ethanone?
The canonical SMILES for 1-[2-(2-morpholin-4-ylcyclohexyl)oxyphenyl]ethanone is CC(=O)c1ccccc1OC1CCCCC1N1CCOCC1.
What is the InChIKey of 1-[2-(2-morpholin-4-ylcyclohexyl)oxyphenyl]ethanone?
The InChIKey is CTAXEHOXKMEFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-14(20)15-6-2-4-8-17(15)22-18-9-5-3-7-16(18)19-10-12-21-13-11-19/h2,4,6,8,16,18H,3,5,7,9-13H2,1H3.
What are the key properties of 1-[2-(2-morpholin-4-ylcyclohexyl)oxyphenyl]ethanone?
1-[2-(2-morpholin-4-ylcyclohexyl)oxyphenyl]ethanone has a molecular weight of 303.40 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-morpholin-4-ylcyclohexyl)oxyphenyl]ethanone is sourced from PubChem (CID 82037392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).