[6-[hydroxy-(3-methylphenyl)methyl]-2-pyridinyl]-(3-methylphenyl)methanol

C21H21NO2 — CID 175901613

IUPAC[6-[hydroxy-(3-methylphenyl)methyl]-2-pyridinyl]-(3-methylphenyl)methanol
SMILESCc1cccc(C(O)c2cccc(C(O)c3cccc(C)c3)n2)c1
InChIInChI=1S/C21H21NO2/c1-14-6-3-8-16(12-14)20(23)18-10-5-11-19(22-18)21(24)17-9-4-7-15(2)13-17/h3-13,20-21,23-24H,1-2H3
InChIKeyPVJBENPUMLULLZ-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.86
Rot. Bonds4

About [6-[hydroxy-(3-methylphenyl)methyl]-2-pyridinyl]-(3-methylphenyl)methanol

[6-[hydroxy-(3-methylphenyl)methyl]-2-pyridinyl]-(3-methylphenyl)methanol (PubChem CID 175901613) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is [6-[hydroxy-(3-methylphenyl)methyl]-2-pyridinyl]-(3-methylphenyl)methanol.

Molecular Properties

Compound Name[6-[hydroxy-(3-methylphenyl)methyl]-2-pyridinyl]-(3-methylphenyl)methanol
PubChem CID175901613
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name[6-[hydroxy-(3-methylphenyl)methyl]-2-pyridinyl]-(3-methylphenyl)methanol
SMILESCc1cccc(C(O)c2cccc(C(O)c3cccc(C)c3)n2)c1
InChIInChI=1S/C21H21NO2/c1-14-6-3-8-16(12-14)20(23)18-10-5-11-19(22-18)21(24)17-9-4-7-15(2)13-17/h3-13,20-21,23-24H,1-2H3
InChIKeyPVJBENPUMLULLZ-UHFFFAOYSA-N
XLogP3.86
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylphenyl)-(6-methyl-2-pyridinyl)methanol
CID 63553989
(2-tert-butyl-1,3-thiazol-4-yl)-(3-methylphenyl)methanol
CID 113472367
(3-fluorophenyl)-(6-methyl-2-pyridinyl)methanol
CID 63554167
1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
CID 117071538
(3-methylphenyl)-(2-methyl-4-pyridinyl)methanol
CID 106756084
(3-methylphenyl)-(2,4,5-trimethylphenyl)methanol
CID 64985341
(4-iodophenyl)-(3-methylphenyl)methanol
CID 114978089
(4-tert-butylphenyl)-(3-methylphenyl)methanol
CID 2757292
(3,4-difluorophenyl)-(3-methylphenyl)methanol
CID 2758296
isoquinolin-4-yl-(3-methylphenyl)methanol
CID 63938792
(1R,2R)-1-(3-methylphenyl)propane-1,2-diol
CID 134966873
4-[[4-[hydroxy-(3-methylphenyl)methyl]pyrimidin-2-yl]amino]benzonitrile
CID 56675188

Frequently Asked Questions

What is the IUPAC name of [6-[hydroxy-(3-methylphenyl)methyl]-2-pyridinyl]-(3-methylphenyl)methanol?
The IUPAC name of [6-[hydroxy-(3-methylphenyl)methyl]-2-pyridinyl]-(3-methylphenyl)methanol (CID 175901613) is [6-[hydroxy-(3-methylphenyl)methyl]-2-pyridinyl]-(3-methylphenyl)methanol.
What is the SMILES notation for [6-[hydroxy-(3-methylphenyl)methyl]-2-pyridinyl]-(3-methylphenyl)methanol?
The canonical SMILES for [6-[hydroxy-(3-methylphenyl)methyl]-2-pyridinyl]-(3-methylphenyl)methanol is Cc1cccc(C(O)c2cccc(C(O)c3cccc(C)c3)n2)c1.
What is the InChIKey of [6-[hydroxy-(3-methylphenyl)methyl]-2-pyridinyl]-(3-methylphenyl)methanol?
The InChIKey is PVJBENPUMLULLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-14-6-3-8-16(12-14)20(23)18-10-5-11-19(22-18)21(24)17-9-4-7-15(2)13-17/h3-13,20-21,23-24H,1-2H3.
What are the key properties of [6-[hydroxy-(3-methylphenyl)methyl]-2-pyridinyl]-(3-methylphenyl)methanol?
[6-[hydroxy-(3-methylphenyl)methyl]-2-pyridinyl]-(3-methylphenyl)methanol has a molecular weight of 319.40 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[hydroxy-(3-methylphenyl)methyl]-2-pyridinyl]-(3-methylphenyl)methanol is sourced from PubChem (CID 175901613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).