2-[(2-hydroxy-2-adamantyl)-(6-methyl-2-pyridinyl)methyl]adamantan-2-ol

C27H37NO2 — CID 10740177

IUPAC2-[(2-hydroxy-2-adamantyl)-(6-methyl-2-pyridinyl)methyl]adamantan-2-ol
SMILESCc1cccc(C(C2(O)C3CC4CC(C3)CC2C4)C2(O)C3CC4CC(C3)CC2C4)n1
InChIInChI=1S/C27H37NO2/c1-15-3-2-4-24(28-15)25(26(29)20-7-16-5-17(9-20)10-21(26)8-16)27(30)22-11-18-6-19(13-22)14-23(27)12-18/h2-4,16-23,25,29-30H,5-14H2,1H3
InChIKeyBEPFUJGQPOQFEW-UHFFFAOYSA-N
MW407.60 g/mol
LogP4.85
Rot. Bonds3

About 2-[(2-hydroxy-2-adamantyl)-(6-methyl-2-pyridinyl)methyl]adamantan-2-ol

2-[(2-hydroxy-2-adamantyl)-(6-methyl-2-pyridinyl)methyl]adamantan-2-ol (PubChem CID 10740177) has the molecular formula C27H37NO2 and a molecular weight of 407.60 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-adamantyl)-(6-methyl-2-pyridinyl)methyl]adamantan-2-ol.

Molecular Properties

Compound Name2-[(2-hydroxy-2-adamantyl)-(6-methyl-2-pyridinyl)methyl]adamantan-2-ol
PubChem CID10740177
Molecular FormulaC27H37NO2
Molecular Weight407.60 g/mol
Exact Mass407.28
IUPAC Name2-[(2-hydroxy-2-adamantyl)-(6-methyl-2-pyridinyl)methyl]adamantan-2-ol
SMILESCc1cccc(C(C2(O)C3CC4CC(C3)CC2C4)C2(O)C3CC4CC(C3)CC2C4)n1
InChIInChI=1S/C27H37NO2/c1-15-3-2-4-24(28-15)25(26(29)20-7-16-5-17(9-20)10-21(26)8-16)27(30)22-11-18-6-19(13-22)14-23(27)12-18/h2-4,16-23,25,29-30H,5-14H2,1H3
InChIKeyBEPFUJGQPOQFEW-UHFFFAOYSA-N
XLogP4.85
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.60
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-adamantyl)-(6-methyl-2-pyridinyl)methyl]adamantan-2-ol?
The IUPAC name of 2-[(2-hydroxy-2-adamantyl)-(6-methyl-2-pyridinyl)methyl]adamantan-2-ol (CID 10740177) is 2-[(2-hydroxy-2-adamantyl)-(6-methyl-2-pyridinyl)methyl]adamantan-2-ol.
What is the SMILES notation for 2-[(2-hydroxy-2-adamantyl)-(6-methyl-2-pyridinyl)methyl]adamantan-2-ol?
The canonical SMILES for 2-[(2-hydroxy-2-adamantyl)-(6-methyl-2-pyridinyl)methyl]adamantan-2-ol is Cc1cccc(C(C2(O)C3CC4CC(C3)CC2C4)C2(O)C3CC4CC(C3)CC2C4)n1.
What is the InChIKey of 2-[(2-hydroxy-2-adamantyl)-(6-methyl-2-pyridinyl)methyl]adamantan-2-ol?
The InChIKey is BEPFUJGQPOQFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37NO2/c1-15-3-2-4-24(28-15)25(26(29)20-7-16-5-17(9-20)10-21(26)8-16)27(30)22-11-18-6-19(13-22)14-23(27)12-18/h2-4,16-23,25,29-30H,5-14H2,1H3.
What are the key properties of 2-[(2-hydroxy-2-adamantyl)-(6-methyl-2-pyridinyl)methyl]adamantan-2-ol?
2-[(2-hydroxy-2-adamantyl)-(6-methyl-2-pyridinyl)methyl]adamantan-2-ol has a molecular weight of 407.60 g/mol, XLogP of 4.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-adamantyl)-(6-methyl-2-pyridinyl)methyl]adamantan-2-ol is sourced from PubChem (CID 10740177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).