[(1R,2R,5S)-5-methyl-2-propan-2-yl-1-pyridin-2-ylcyclohexyl]oxy-diphenylphosphane

C27H32NOP — CID 134991668

IUPAC[(1R,2R,5S)-5-methyl-2-propan-2-yl-1-pyridin-2-ylcyclohexyl]oxy-diphenylphosphane
SMILESCC(C)[C@H]1CC[C@H](C)C[C@]1(OP(c1ccccc1)c1ccccc1)c1ccccn1
InChIInChI=1S/C27H32NOP/c1-21(2)25-18-17-22(3)20-27(25,26-16-10-11-19-28-26)29-30(23-12-6-4-7-13-23)24-14-8-5-9-15-24/h4-16,19,21-22,25H,17-18,20H2,1-3H3/t22-,25+,27+/m0/s1
InChIKeyLDAAYCIFVXQJKT-GEWUYGHSSA-N
MW417.53 g/mol
LogP6.43
Rot. Bonds6

About [(1R,2R,5S)-5-methyl-2-propan-2-yl-1-pyridin-2-ylcyclohexyl]oxy-diphenylphosphane

[(1R,2R,5S)-5-methyl-2-propan-2-yl-1-pyridin-2-ylcyclohexyl]oxy-diphenylphosphane (PubChem CID 134991668) has the molecular formula C27H32NOP and a molecular weight of 417.53 g/mol. Its IUPAC name is [(1R,2R,5S)-5-methyl-2-propan-2-yl-1-pyridin-2-ylcyclohexyl]oxy-diphenylphosphane.

Molecular Properties

Compound Name[(1R,2R,5S)-5-methyl-2-propan-2-yl-1-pyridin-2-ylcyclohexyl]oxy-diphenylphosphane
PubChem CID134991668
Molecular FormulaC27H32NOP
Molecular Weight417.53 g/mol
Exact Mass417.22
IUPAC Name[(1R,2R,5S)-5-methyl-2-propan-2-yl-1-pyridin-2-ylcyclohexyl]oxy-diphenylphosphane
SMILESCC(C)[C@H]1CC[C@H](C)C[C@]1(OP(c1ccccc1)c1ccccc1)c1ccccn1
InChIInChI=1S/C27H32NOP/c1-21(2)25-18-17-22(3)20-27(25,26-16-10-11-19-28-26)29-30(23-12-6-4-7-13-23)24-14-8-5-9-15-24/h4-16,19,21-22,25H,17-18,20H2,1-3H3/t22-,25+,27+/m0/s1
InChIKeyLDAAYCIFVXQJKT-GEWUYGHSSA-N
XLogP6.43
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Alpha,alpha-diphenyl-2-pyridinemethanol
CID 223294
1,2-Diphenyl-1-(pyridin-2-yl)ethan-1-ol--hydrogen chloride (1/1)
CID 210784
1-(2,2-Diphenylethyl)-4-(5-methylpyridin-2-yl)piperidin-4-ol
CID 56746316
1,2-Diphenyl-1-pyridin-2-ylethanol
CID 210785
2-Pyridin-2-ylpropan-2-yloxy-bis[2,4,6-tris(trifluoromethyl)phenyl]phosphane
CID 123146141
3-Methyl-1-phenyl-1-pyridin-2-ylbutan-1-ol
CID 122379925
Bis(4-methylphenyl)-pyridin-2-ylmethanol
CID 230499
5-[3-(2,4-Difluorophenyl)phenyl]-2-pyridin-2-ylpentan-2-ol
CID 58109152
Bis(4-tert-butylphenyl)-pyridin-2-ylmethanol
CID 10975064
2-Pyridin-2-yladamantan-2-ol
CID 11218455
(E)-1,3-diphenyl-1-pyridin-2-ylprop-2-en-1-ol
CID 13976520
5-Methyl-2-propan-2-yl-1-pyridin-2-ylcyclohexan-1-ol
CID 14933346

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,5S)-5-methyl-2-propan-2-yl-1-pyridin-2-ylcyclohexyl]oxy-diphenylphosphane?
The IUPAC name of [(1R,2R,5S)-5-methyl-2-propan-2-yl-1-pyridin-2-ylcyclohexyl]oxy-diphenylphosphane (CID 134991668) is [(1R,2R,5S)-5-methyl-2-propan-2-yl-1-pyridin-2-ylcyclohexyl]oxy-diphenylphosphane.
What is the SMILES notation for [(1R,2R,5S)-5-methyl-2-propan-2-yl-1-pyridin-2-ylcyclohexyl]oxy-diphenylphosphane?
The canonical SMILES for [(1R,2R,5S)-5-methyl-2-propan-2-yl-1-pyridin-2-ylcyclohexyl]oxy-diphenylphosphane is CC(C)[C@H]1CC[C@H](C)C[C@]1(OP(c1ccccc1)c1ccccc1)c1ccccn1.
What is the InChIKey of [(1R,2R,5S)-5-methyl-2-propan-2-yl-1-pyridin-2-ylcyclohexyl]oxy-diphenylphosphane?
The InChIKey is LDAAYCIFVXQJKT-GEWUYGHSSA-N. The full InChI is InChI=1S/C27H32NOP/c1-21(2)25-18-17-22(3)20-27(25,26-16-10-11-19-28-26)29-30(23-12-6-4-7-13-23)24-14-8-5-9-15-24/h4-16,19,21-22,25H,17-18,20H2,1-3H3/t22-,25+,27+/m0/s1.
What are the key properties of [(1R,2R,5S)-5-methyl-2-propan-2-yl-1-pyridin-2-ylcyclohexyl]oxy-diphenylphosphane?
[(1R,2R,5S)-5-methyl-2-propan-2-yl-1-pyridin-2-ylcyclohexyl]oxy-diphenylphosphane has a molecular weight of 417.53 g/mol, XLogP of 6.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,5S)-5-methyl-2-propan-2-yl-1-pyridin-2-ylcyclohexyl]oxy-diphenylphosphane is sourced from PubChem (CID 134991668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).