bis[4-(2-morpholin-4-ylcyclohexyl)oxyphenyl]methanone

C33H44N2O5 — CID 57181681

IUPACbis[4-(2-morpholin-4-ylcyclohexyl)oxyphenyl]methanone
SMILESO=C(c1ccc(OC2CCCCC2N2CCOCC2)cc1)c1ccc(OC2CCCCC2N2CCOCC2)cc1
InChIInChI=1S/C33H44N2O5/c36-33(25-9-13-27(14-10-25)39-31-7-3-1-5-29(31)34-17-21-37-22-18-34)26-11-15-28(16-12-26)40-32-8-4-2-6-30(32)35-19-23-38-24-20-35/h9-16,29-32H,1-8,17-24H2
InChIKeyOQCMUKXNHJZOOQ-UHFFFAOYSA-N
MW548.72 g/mol
LogP4.96
Rot. Bonds8

About bis[4-(2-morpholin-4-ylcyclohexyl)oxyphenyl]methanone

bis[4-(2-morpholin-4-ylcyclohexyl)oxyphenyl]methanone (PubChem CID 57181681) has the molecular formula C33H44N2O5 and a molecular weight of 548.72 g/mol. Its IUPAC name is bis[4-(2-morpholin-4-ylcyclohexyl)oxyphenyl]methanone.

Molecular Properties

Compound Namebis[4-(2-morpholin-4-ylcyclohexyl)oxyphenyl]methanone
PubChem CID57181681
Molecular FormulaC33H44N2O5
Molecular Weight548.72 g/mol
Exact Mass548.33
IUPAC Namebis[4-(2-morpholin-4-ylcyclohexyl)oxyphenyl]methanone
SMILESO=C(c1ccc(OC2CCCCC2N2CCOCC2)cc1)c1ccc(OC2CCCCC2N2CCOCC2)cc1
InChIInChI=1S/C33H44N2O5/c36-33(25-9-13-27(14-10-25)39-31-7-3-1-5-29(31)34-17-21-37-22-18-34)26-11-15-28(16-12-26)40-32-8-4-2-6-30(32)35-19-23-38-24-20-35/h9-16,29-32H,1-8,17-24H2
InChIKeyOQCMUKXNHJZOOQ-UHFFFAOYSA-N
XLogP4.96
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.72
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of bis[4-(2-morpholin-4-ylcyclohexyl)oxyphenyl]methanone?
The IUPAC name of bis[4-(2-morpholin-4-ylcyclohexyl)oxyphenyl]methanone (CID 57181681) is bis[4-(2-morpholin-4-ylcyclohexyl)oxyphenyl]methanone.
What is the SMILES notation for bis[4-(2-morpholin-4-ylcyclohexyl)oxyphenyl]methanone?
The canonical SMILES for bis[4-(2-morpholin-4-ylcyclohexyl)oxyphenyl]methanone is O=C(c1ccc(OC2CCCCC2N2CCOCC2)cc1)c1ccc(OC2CCCCC2N2CCOCC2)cc1.
What is the InChIKey of bis[4-(2-morpholin-4-ylcyclohexyl)oxyphenyl]methanone?
The InChIKey is OQCMUKXNHJZOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44N2O5/c36-33(25-9-13-27(14-10-25)39-31-7-3-1-5-29(31)34-17-21-37-22-18-34)26-11-15-28(16-12-26)40-32-8-4-2-6-30(32)35-19-23-38-24-20-35/h9-16,29-32H,1-8,17-24H2.
What are the key properties of bis[4-(2-morpholin-4-ylcyclohexyl)oxyphenyl]methanone?
bis[4-(2-morpholin-4-ylcyclohexyl)oxyphenyl]methanone has a molecular weight of 548.72 g/mol, XLogP of 4.96, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(2-morpholin-4-ylcyclohexyl)oxyphenyl]methanone is sourced from PubChem (CID 57181681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).