(2R)-5-[5-cyclohexyl-2,3-bis(phenylmethoxy)morpholin-4-yl]pentan-2-ol

C29H41NO4 — CID 70044384

IUPAC(2R)-5-[5-cyclohexyl-2,3-bis(phenylmethoxy)morpholin-4-yl]pentan-2-ol
SMILESC[C@@H](O)CCCN1C(C2CCCCC2)COC(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C29H41NO4/c1-23(31)12-11-19-30-27(26-17-9-4-10-18-26)22-34-29(33-21-25-15-7-3-8-16-25)28(30)32-20-24-13-5-2-6-14-24/h2-3,5-8,13-16,23,26-29,31H,4,9-12,17-22H2,1H3/t23-,27?,28?,29?/m1/s1
InChIKeySNTZOEYFCOFODX-BYHPCDJZSA-N
MW467.65 g/mol
LogP5.51
Rot. Bonds11

About (2R)-5-[5-cyclohexyl-2,3-bis(phenylmethoxy)morpholin-4-yl]pentan-2-ol

(2R)-5-[5-cyclohexyl-2,3-bis(phenylmethoxy)morpholin-4-yl]pentan-2-ol (PubChem CID 70044384) has the molecular formula C29H41NO4 and a molecular weight of 467.65 g/mol. Its IUPAC name is (2R)-5-[5-cyclohexyl-2,3-bis(phenylmethoxy)morpholin-4-yl]pentan-2-ol.

Molecular Properties

Compound Name(2R)-5-[5-cyclohexyl-2,3-bis(phenylmethoxy)morpholin-4-yl]pentan-2-ol
PubChem CID70044384
Molecular FormulaC29H41NO4
Molecular Weight467.65 g/mol
Exact Mass467.30
IUPAC Name(2R)-5-[5-cyclohexyl-2,3-bis(phenylmethoxy)morpholin-4-yl]pentan-2-ol
SMILESC[C@@H](O)CCCN1C(C2CCCCC2)COC(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C29H41NO4/c1-23(31)12-11-19-30-27(26-17-9-4-10-18-26)22-34-29(33-21-25-15-7-3-8-16-25)28(30)32-20-24-13-5-2-6-14-24/h2-3,5-8,13-16,23,26-29,31H,4,9-12,17-22H2,1H3/t23-,27?,28?,29?/m1/s1
InChIKeySNTZOEYFCOFODX-BYHPCDJZSA-N
XLogP5.51
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.65
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-[5-cyclohexyl-2,3-bis(phenylmethoxy)morpholin-4-yl]pentan-2-ol?
The IUPAC name of (2R)-5-[5-cyclohexyl-2,3-bis(phenylmethoxy)morpholin-4-yl]pentan-2-ol (CID 70044384) is (2R)-5-[5-cyclohexyl-2,3-bis(phenylmethoxy)morpholin-4-yl]pentan-2-ol.
What is the SMILES notation for (2R)-5-[5-cyclohexyl-2,3-bis(phenylmethoxy)morpholin-4-yl]pentan-2-ol?
The canonical SMILES for (2R)-5-[5-cyclohexyl-2,3-bis(phenylmethoxy)morpholin-4-yl]pentan-2-ol is C[C@@H](O)CCCN1C(C2CCCCC2)COC(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of (2R)-5-[5-cyclohexyl-2,3-bis(phenylmethoxy)morpholin-4-yl]pentan-2-ol?
The InChIKey is SNTZOEYFCOFODX-BYHPCDJZSA-N. The full InChI is InChI=1S/C29H41NO4/c1-23(31)12-11-19-30-27(26-17-9-4-10-18-26)22-34-29(33-21-25-15-7-3-8-16-25)28(30)32-20-24-13-5-2-6-14-24/h2-3,5-8,13-16,23,26-29,31H,4,9-12,17-22H2,1H3/t23-,27?,28?,29?/m1/s1.
What are the key properties of (2R)-5-[5-cyclohexyl-2,3-bis(phenylmethoxy)morpholin-4-yl]pentan-2-ol?
(2R)-5-[5-cyclohexyl-2,3-bis(phenylmethoxy)morpholin-4-yl]pentan-2-ol has a molecular weight of 467.65 g/mol, XLogP of 5.51, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-[5-cyclohexyl-2,3-bis(phenylmethoxy)morpholin-4-yl]pentan-2-ol is sourced from PubChem (CID 70044384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).