[6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-pyridinyl]methyl-diphenylphosphane

C28H34NOP — CID 101367033

IUPAC[6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-pyridinyl]methyl-diphenylphosphane
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1cccc(CP(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C28H34NOP/c1-21(2)26-18-17-22(3)19-27(26)30-28-16-10-11-23(29-28)20-31(24-12-6-4-7-13-24)25-14-8-5-9-15-25/h4-16,21-22,26-27H,17-20H2,1-3H3/t22-,26+,27-/m1/s1
InChIKeyLANYOSDJPYXSGJ-VYCLJVNGSA-N
MW431.56 g/mol
LogP6.55
Rot. Bonds7

About [6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-pyridinyl]methyl-diphenylphosphane

[6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-pyridinyl]methyl-diphenylphosphane (PubChem CID 101367033) has the molecular formula C28H34NOP and a molecular weight of 431.56 g/mol. Its IUPAC name is [6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-pyridinyl]methyl-diphenylphosphane.

Molecular Properties

Compound Name[6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-pyridinyl]methyl-diphenylphosphane
PubChem CID101367033
Molecular FormulaC28H34NOP
Molecular Weight431.56 g/mol
Exact Mass431.24
IUPAC Name[6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-pyridinyl]methyl-diphenylphosphane
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1cccc(CP(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C28H34NOP/c1-21(2)26-18-17-22(3)19-27(26)30-28-16-10-11-23(29-28)20-31(24-12-6-4-7-13-24)25-14-8-5-9-15-25/h4-16,21-22,26-27H,17-20H2,1-3H3/t22-,26+,27-/m1/s1
InChIKeyLANYOSDJPYXSGJ-VYCLJVNGSA-N
XLogP6.55
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.56
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-pyridinyl]methyl-diphenylphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-6-[2-[2-[2-[6-[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-2-pyridinyl]ethynyl]phenyl]ethynyl]pyridine
CID 102271450
6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine-2,3-diamine
CID 79827219
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[(2-methoxyphenyl)-phenylphosphanyl]acetate
CID 154718116
2-[methoxy-[6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-pyridinyl]-pyridin-2-ylmethyl]-6-phenylpyridine
CID 101158458
ethyl-methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenylsilane
CID 586507
2,6-bis[2-[6-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-2-pyridinyl]ethynyl]pyridine
CID 101195744
CID 6365001
CID 6365001
2-[(2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybenzonitrile
CID 138978245
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-benzothiophene
CID 15832960
4-chloro-2-ethyl-6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyrimidine
CID 80944444
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphane
CID 98053481
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphane
CID 2734569

Frequently Asked Questions

What is the IUPAC name of [6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-pyridinyl]methyl-diphenylphosphane?
The IUPAC name of [6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-pyridinyl]methyl-diphenylphosphane (CID 101367033) is [6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-pyridinyl]methyl-diphenylphosphane.
What is the SMILES notation for [6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-pyridinyl]methyl-diphenylphosphane?
The canonical SMILES for [6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-pyridinyl]methyl-diphenylphosphane is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1cccc(CP(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of [6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-pyridinyl]methyl-diphenylphosphane?
The InChIKey is LANYOSDJPYXSGJ-VYCLJVNGSA-N. The full InChI is InChI=1S/C28H34NOP/c1-21(2)26-18-17-22(3)19-27(26)30-28-16-10-11-23(29-28)20-31(24-12-6-4-7-13-24)25-14-8-5-9-15-25/h4-16,21-22,26-27H,17-20H2,1-3H3/t22-,26+,27-/m1/s1.
What are the key properties of [6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-pyridinyl]methyl-diphenylphosphane?
[6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-pyridinyl]methyl-diphenylphosphane has a molecular weight of 431.56 g/mol, XLogP of 6.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-pyridinyl]methyl-diphenylphosphane is sourced from PubChem (CID 101367033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).