(1R,2R,4R)-1,7,7-trimethyl-2-(6-phenyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol

C21H25NO — CID 100993929

IUPAC(1R,2R,4R)-1,7,7-trimethyl-2-(6-phenyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@@](O)(c1cccc(-c3ccccc3)n1)C2
InChIInChI=1S/C21H25NO/c1-19(2)16-12-13-20(19,3)21(23,14-16)18-11-7-10-17(22-18)15-8-5-4-6-9-15/h4-11,16,23H,12-14H2,1-3H3/t16-,20-,21+/m1/s1
InChIKeyFTZMMGRWLQUWJK-HBGVWJBISA-N
MW307.44 g/mol
LogP4.78
Rot. Bonds2

About (1R,2R,4R)-1,7,7-trimethyl-2-(6-phenyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol

(1R,2R,4R)-1,7,7-trimethyl-2-(6-phenyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol (PubChem CID 100993929) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is (1R,2R,4R)-1,7,7-trimethyl-2-(6-phenyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1R,2R,4R)-1,7,7-trimethyl-2-(6-phenyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol
PubChem CID100993929
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name(1R,2R,4R)-1,7,7-trimethyl-2-(6-phenyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@@](O)(c1cccc(-c3ccccc3)n1)C2
InChIInChI=1S/C21H25NO/c1-19(2)16-12-13-20(19,3)21(23,14-16)18-11-7-10-17(22-18)15-8-5-4-6-9-15/h4-11,16,23H,12-14H2,1-3H3/t16-,20-,21+/m1/s1
InChIKeyFTZMMGRWLQUWJK-HBGVWJBISA-N
XLogP4.78
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,2R,4R)-1,7,7-trimethyl-2-(6-phenyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

1-(4-methylphenyl)-1-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)ethanol
CID 10402261
2-Bicyclo[2.2.1]hept-2-enyl-phenyl-pyridin-2-ylmethanol
CID 44424921
1,7,7-Trimethyl-2-(2-pyridyl)bicyclo(2.2.1)heptan-2-ol
CID 15553738
(1R,2R,4R)-1,7,7-trimethyl-2-(6-pyridin-2-yl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol
CID 100993925
1,3,3-Trimethyl-2-(6-phenyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol
CID 135009825
(1R,2R,4S)-1,3,3-Trimethyl-2-(2-pyridyl)bicyclo[2.2.1]heptane-2-ol
CID 11734622
2-[6-(4-Fluorophenyl)-4-(1-methylcyclohexyl)-2-pyridinyl]butan-2-ol
CID 122501515
(1R,2R,4R)-2-[6-[6-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-2-pyridinyl]-2-pyridinyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 10983406
2-(6-Methyl-2-pyridinyl)-1,1-diphenylethanol
CID 11471797
5-Methyl-2-(2-phenylpropan-2-yl)-1-pyridin-2-ylcyclohexan-1-ol
CID 15553737
(1R,2R,4S)-2-(6-bromo-2-pyridinyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 23659151
1-(6-Butyl-2-pyridinyl)-1-phenylethanol
CID 44475468

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-1,7,7-trimethyl-2-(6-phenyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1R,2R,4R)-1,7,7-trimethyl-2-(6-phenyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol (CID 100993929) is (1R,2R,4R)-1,7,7-trimethyl-2-(6-phenyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1R,2R,4R)-1,7,7-trimethyl-2-(6-phenyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1R,2R,4R)-1,7,7-trimethyl-2-(6-phenyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol is CC1(C)[C@@H]2CC[C@@]1(C)[C@@](O)(c1cccc(-c3ccccc3)n1)C2.
What is the InChIKey of (1R,2R,4R)-1,7,7-trimethyl-2-(6-phenyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol?
The InChIKey is FTZMMGRWLQUWJK-HBGVWJBISA-N. The full InChI is InChI=1S/C21H25NO/c1-19(2)16-12-13-20(19,3)21(23,14-16)18-11-7-10-17(22-18)15-8-5-4-6-9-15/h4-11,16,23H,12-14H2,1-3H3/t16-,20-,21+/m1/s1.
What are the key properties of (1R,2R,4R)-1,7,7-trimethyl-2-(6-phenyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol?
(1R,2R,4R)-1,7,7-trimethyl-2-(6-phenyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol has a molecular weight of 307.44 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-1,7,7-trimethyl-2-(6-phenyl-2-pyridinyl)bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 100993929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).