2-(6-methyl-2-pyridinyl)-1,1-diphenylethanol

C40H38N2O2 — CID 139075224

IUPAC2-(6-methyl-2-pyridinyl)-1,1-diphenylethanol
SMILESCc1cccc(CC(O)(c2ccccc2)c2ccccc2)n1.Cc1cccc(CC(O)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/2C20H19NO/c2*1-16-9-8-14-19(21-16)15-20(22,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2*2-14,22H,15H2,1H3
InChIKeyBXXBVDYVPCZWFV-UHFFFAOYSA-N
MW578.76 g/mol
LogP7.74
Rot. Bonds8

About 2-(6-methyl-2-pyridinyl)-1,1-diphenylethanol

2-(6-methyl-2-pyridinyl)-1,1-diphenylethanol (PubChem CID 139075224) has the molecular formula C40H38N2O2 and a molecular weight of 578.76 g/mol. Its IUPAC name is 2-(6-methyl-2-pyridinyl)-1,1-diphenylethanol.

Molecular Properties

Compound Name2-(6-methyl-2-pyridinyl)-1,1-diphenylethanol
PubChem CID139075224
Molecular FormulaC40H38N2O2
Molecular Weight578.76 g/mol
Exact Mass578.29
IUPAC Name2-(6-methyl-2-pyridinyl)-1,1-diphenylethanol
SMILESCc1cccc(CC(O)(c2ccccc2)c2ccccc2)n1.Cc1cccc(CC(O)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/2C20H19NO/c2*1-16-9-8-14-19(21-16)15-20(22,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2*2-14,22H,15H2,1H3
InChIKeyBXXBVDYVPCZWFV-UHFFFAOYSA-N
XLogP7.74
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.76
LogP ≤ 57.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-pyridinyl)-1,1-diphenylethanol?
The IUPAC name of 2-(6-methyl-2-pyridinyl)-1,1-diphenylethanol (CID 139075224) is 2-(6-methyl-2-pyridinyl)-1,1-diphenylethanol.
What is the SMILES notation for 2-(6-methyl-2-pyridinyl)-1,1-diphenylethanol?
The canonical SMILES for 2-(6-methyl-2-pyridinyl)-1,1-diphenylethanol is Cc1cccc(CC(O)(c2ccccc2)c2ccccc2)n1.Cc1cccc(CC(O)(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 2-(6-methyl-2-pyridinyl)-1,1-diphenylethanol?
The InChIKey is BXXBVDYVPCZWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H19NO/c2*1-16-9-8-14-19(21-16)15-20(22,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2*2-14,22H,15H2,1H3.
What are the key properties of 2-(6-methyl-2-pyridinyl)-1,1-diphenylethanol?
2-(6-methyl-2-pyridinyl)-1,1-diphenylethanol has a molecular weight of 578.76 g/mol, XLogP of 7.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-pyridinyl)-1,1-diphenylethanol is sourced from PubChem (CID 139075224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).