5-methyl-2-(2-phenylpropan-2-yl)-1-pyridin-2-ylcyclohexan-1-ol

C21H27NO — CID 15553737

IUPAC5-methyl-2-(2-phenylpropan-2-yl)-1-pyridin-2-ylcyclohexan-1-ol
SMILESCC1CCC(C(C)(C)c2ccccc2)C(O)(c2ccccn2)C1
InChIInChI=1S/C21H27NO/c1-16-12-13-18(20(2,3)17-9-5-4-6-10-17)21(23,15-16)19-11-7-8-14-22-19/h4-11,14,16,18,23H,12-13,15H2,1-3H3
InChIKeyRUAFMLUBKIIPBK-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.68
Rot. Bonds3

About 5-methyl-2-(2-phenylpropan-2-yl)-1-pyridin-2-ylcyclohexan-1-ol

5-methyl-2-(2-phenylpropan-2-yl)-1-pyridin-2-ylcyclohexan-1-ol (PubChem CID 15553737) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 5-methyl-2-(2-phenylpropan-2-yl)-1-pyridin-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name5-methyl-2-(2-phenylpropan-2-yl)-1-pyridin-2-ylcyclohexan-1-ol
PubChem CID15553737
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name5-methyl-2-(2-phenylpropan-2-yl)-1-pyridin-2-ylcyclohexan-1-ol
SMILESCC1CCC(C(C)(C)c2ccccc2)C(O)(c2ccccn2)C1
InChIInChI=1S/C21H27NO/c1-16-12-13-18(20(2,3)17-9-5-4-6-10-17)21(23,15-16)19-11-7-8-14-22-19/h4-11,14,16,18,23H,12-13,15H2,1-3H3
InChIKeyRUAFMLUBKIIPBK-UHFFFAOYSA-N
XLogP4.68
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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6-(4-Fluorophenyl)-1-(pyridin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 25033730
2-Morpholin-4-yl-1-phenyl-1-pyridin-2-ylethanol
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2-(4-(Tert-butyl)phenyl)pyridin-3-ol hydrochloride
CID 16192568
1,1-Diphenyl-2-(3-pyridinyl)ethanol
CID 238376
1,1-Diphenyl-2-pyridin-4-ylethanol
CID 303194
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CID 66260
Cyprolidol
CID 199758

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-phenylpropan-2-yl)-1-pyridin-2-ylcyclohexan-1-ol?
The IUPAC name of 5-methyl-2-(2-phenylpropan-2-yl)-1-pyridin-2-ylcyclohexan-1-ol (CID 15553737) is 5-methyl-2-(2-phenylpropan-2-yl)-1-pyridin-2-ylcyclohexan-1-ol.
What is the SMILES notation for 5-methyl-2-(2-phenylpropan-2-yl)-1-pyridin-2-ylcyclohexan-1-ol?
The canonical SMILES for 5-methyl-2-(2-phenylpropan-2-yl)-1-pyridin-2-ylcyclohexan-1-ol is CC1CCC(C(C)(C)c2ccccc2)C(O)(c2ccccn2)C1.
What is the InChIKey of 5-methyl-2-(2-phenylpropan-2-yl)-1-pyridin-2-ylcyclohexan-1-ol?
The InChIKey is RUAFMLUBKIIPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-16-12-13-18(20(2,3)17-9-5-4-6-10-17)21(23,15-16)19-11-7-8-14-22-19/h4-11,14,16,18,23H,12-13,15H2,1-3H3.
What are the key properties of 5-methyl-2-(2-phenylpropan-2-yl)-1-pyridin-2-ylcyclohexan-1-ol?
5-methyl-2-(2-phenylpropan-2-yl)-1-pyridin-2-ylcyclohexan-1-ol has a molecular weight of 309.45 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-phenylpropan-2-yl)-1-pyridin-2-ylcyclohexan-1-ol is sourced from PubChem (CID 15553737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).