5-methyl-2-(2-phenylpropan-2-yl)-1-(6-phenyl-2-pyridinyl)cyclohexan-1-ol

C27H31NO — CID 135009226

IUPAC5-methyl-2-(2-phenylpropan-2-yl)-1-(6-phenyl-2-pyridinyl)cyclohexan-1-ol
SMILESCC1CCC(C(C)(C)c2ccccc2)C(O)(c2cccc(-c3ccccc3)n2)C1
InChIInChI=1S/C27H31NO/c1-20-17-18-24(26(2,3)22-13-8-5-9-14-22)27(29,19-20)25-16-10-15-23(28-25)21-11-6-4-7-12-21/h4-16,20,24,29H,17-19H2,1-3H3
InChIKeyADGIKMYEFRMZFM-UHFFFAOYSA-N
MW385.55 g/mol
LogP6.35
Rot. Bonds4

About 5-methyl-2-(2-phenylpropan-2-yl)-1-(6-phenyl-2-pyridinyl)cyclohexan-1-ol

5-methyl-2-(2-phenylpropan-2-yl)-1-(6-phenyl-2-pyridinyl)cyclohexan-1-ol (PubChem CID 135009226) has the molecular formula C27H31NO and a molecular weight of 385.55 g/mol. Its IUPAC name is 5-methyl-2-(2-phenylpropan-2-yl)-1-(6-phenyl-2-pyridinyl)cyclohexan-1-ol.

Molecular Properties

Compound Name5-methyl-2-(2-phenylpropan-2-yl)-1-(6-phenyl-2-pyridinyl)cyclohexan-1-ol
PubChem CID135009226
Molecular FormulaC27H31NO
Molecular Weight385.55 g/mol
Exact Mass385.24
IUPAC Name5-methyl-2-(2-phenylpropan-2-yl)-1-(6-phenyl-2-pyridinyl)cyclohexan-1-ol
SMILESCC1CCC(C(C)(C)c2ccccc2)C(O)(c2cccc(-c3ccccc3)n2)C1
InChIInChI=1S/C27H31NO/c1-20-17-18-24(26(2,3)22-13-8-5-9-14-22)27(29,19-20)25-16-10-15-23(28-25)21-11-6-4-7-12-21/h4-16,20,24,29H,17-19H2,1-3H3
InChIKeyADGIKMYEFRMZFM-UHFFFAOYSA-N
XLogP6.35
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.55
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Phenyl-1-(2-quinolinyl)ethanol
CID 273212
3-(2,6-Diphenyl-4-pyridinyl)phenol
CID 46887217
3-(4,6-Diphenyl-2-pyridinyl)phenol
CID 46887130
2,6-Bis(diphenylhydroxymethyl)piperidine
CID 94051
[4-(1-Adamantyl)-2-quinolyl]-phenyl-methanol
CID 118731604
1-[4-(1-Adamantyl)-2-quinolyl]pentan-1-ol
CID 118731605
[4-(1-Adamantyl)-2-quinolyl]-(p-tolyl)methanol
CID 118731607
1-[4-(1-Adamantyl)-2-quinolyl]propan-1-ol
CID 118731610
1-[4-(1-Adamantyl)-2-quinolyl]butan-1-ol
CID 118731611
(4-methylphenyl)-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol
CID 10355630
1-(4-methylphenyl)-1-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)ethanol
CID 10402261
1,1'-(Pyridine-2,6-diyl)bis(1,2-diphenylethan-1-ol)
CID 94052

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-phenylpropan-2-yl)-1-(6-phenyl-2-pyridinyl)cyclohexan-1-ol?
The IUPAC name of 5-methyl-2-(2-phenylpropan-2-yl)-1-(6-phenyl-2-pyridinyl)cyclohexan-1-ol (CID 135009226) is 5-methyl-2-(2-phenylpropan-2-yl)-1-(6-phenyl-2-pyridinyl)cyclohexan-1-ol.
What is the SMILES notation for 5-methyl-2-(2-phenylpropan-2-yl)-1-(6-phenyl-2-pyridinyl)cyclohexan-1-ol?
The canonical SMILES for 5-methyl-2-(2-phenylpropan-2-yl)-1-(6-phenyl-2-pyridinyl)cyclohexan-1-ol is CC1CCC(C(C)(C)c2ccccc2)C(O)(c2cccc(-c3ccccc3)n2)C1.
What is the InChIKey of 5-methyl-2-(2-phenylpropan-2-yl)-1-(6-phenyl-2-pyridinyl)cyclohexan-1-ol?
The InChIKey is ADGIKMYEFRMZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO/c1-20-17-18-24(26(2,3)22-13-8-5-9-14-22)27(29,19-20)25-16-10-15-23(28-25)21-11-6-4-7-12-21/h4-16,20,24,29H,17-19H2,1-3H3.
What are the key properties of 5-methyl-2-(2-phenylpropan-2-yl)-1-(6-phenyl-2-pyridinyl)cyclohexan-1-ol?
5-methyl-2-(2-phenylpropan-2-yl)-1-(6-phenyl-2-pyridinyl)cyclohexan-1-ol has a molecular weight of 385.55 g/mol, XLogP of 6.35, 4 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-(6-phenyl-2-pyridinyl)cyclohexan-1-ol is sourced from PubChem (CID 135009226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).