1-[6-[hydroxy-bis(4-methylphenyl)methyl]-2-pyridinyl]-2-pyridin-2-ylethanol

C27H26N2O2 — CID 101228901

IUPAC1-[6-[hydroxy-bis(4-methylphenyl)methyl]-2-pyridinyl]-2-pyridin-2-ylethanol
SMILESCc1ccc(C(O)(c2ccc(C)cc2)c2cccc(C(O)Cc3ccccn3)n2)cc1
InChIInChI=1S/C27H26N2O2/c1-19-9-13-21(14-10-19)27(31,22-15-11-20(2)12-16-22)26-8-5-7-24(29-26)25(30)18-23-6-3-4-17-28-23/h3-17,25,30-31H,18H2,1-2H3
InChIKeyPIWSIQCPBIPACW-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.65
Rot. Bonds6

About 1-[6-[hydroxy-bis(4-methylphenyl)methyl]-2-pyridinyl]-2-pyridin-2-ylethanol

1-[6-[hydroxy-bis(4-methylphenyl)methyl]-2-pyridinyl]-2-pyridin-2-ylethanol (PubChem CID 101228901) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 1-[6-[hydroxy-bis(4-methylphenyl)methyl]-2-pyridinyl]-2-pyridin-2-ylethanol.

Molecular Properties

Compound Name1-[6-[hydroxy-bis(4-methylphenyl)methyl]-2-pyridinyl]-2-pyridin-2-ylethanol
PubChem CID101228901
Molecular FormulaC27H26N2O2
Molecular Weight410.52 g/mol
Exact Mass410.20
IUPAC Name1-[6-[hydroxy-bis(4-methylphenyl)methyl]-2-pyridinyl]-2-pyridin-2-ylethanol
SMILESCc1ccc(C(O)(c2ccc(C)cc2)c2cccc(C(O)Cc3ccccn3)n2)cc1
InChIInChI=1S/C27H26N2O2/c1-19-9-13-21(14-10-19)27(31,22-15-11-20(2)12-16-22)26-8-5-7-24(29-26)25(30)18-23-6-3-4-17-28-23/h3-17,25,30-31H,18H2,1-2H3
InChIKeyPIWSIQCPBIPACW-UHFFFAOYSA-N
XLogP4.65
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Cinchonidine
CID 101744
Cinchonine
CID 90454
(5-Ethyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol
CID 101711
Alpha-quinidine
CID 2757
Pirmenol
CID 65502
Hydrocinchonine, (+)-
CID 11630759
Dihydrocinchonidine
CID 6914728
Actifed
CID 6437831
(9R)-Cinchonan-9-ol
CID 5702153
Alpha,alpha-diphenyl-2-pyridinemethanol
CID 223294
1-Benzhydryl-4-(pyridin-2-yl)piperidin-4-ol
CID 10427620
2-Morpholino-2-phenyl-1,1-di(pyridin-3-yl)ethanol
CID 11710246

Frequently Asked Questions

What is the IUPAC name of 1-[6-[hydroxy-bis(4-methylphenyl)methyl]-2-pyridinyl]-2-pyridin-2-ylethanol?
The IUPAC name of 1-[6-[hydroxy-bis(4-methylphenyl)methyl]-2-pyridinyl]-2-pyridin-2-ylethanol (CID 101228901) is 1-[6-[hydroxy-bis(4-methylphenyl)methyl]-2-pyridinyl]-2-pyridin-2-ylethanol.
What is the SMILES notation for 1-[6-[hydroxy-bis(4-methylphenyl)methyl]-2-pyridinyl]-2-pyridin-2-ylethanol?
The canonical SMILES for 1-[6-[hydroxy-bis(4-methylphenyl)methyl]-2-pyridinyl]-2-pyridin-2-ylethanol is Cc1ccc(C(O)(c2ccc(C)cc2)c2cccc(C(O)Cc3ccccn3)n2)cc1.
What is the InChIKey of 1-[6-[hydroxy-bis(4-methylphenyl)methyl]-2-pyridinyl]-2-pyridin-2-ylethanol?
The InChIKey is PIWSIQCPBIPACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2/c1-19-9-13-21(14-10-19)27(31,22-15-11-20(2)12-16-22)26-8-5-7-24(29-26)25(30)18-23-6-3-4-17-28-23/h3-17,25,30-31H,18H2,1-2H3.
What are the key properties of 1-[6-[hydroxy-bis(4-methylphenyl)methyl]-2-pyridinyl]-2-pyridin-2-ylethanol?
1-[6-[hydroxy-bis(4-methylphenyl)methyl]-2-pyridinyl]-2-pyridin-2-ylethanol has a molecular weight of 410.52 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[hydroxy-bis(4-methylphenyl)methyl]-2-pyridinyl]-2-pyridin-2-ylethanol is sourced from PubChem (CID 101228901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).