2-(5-benzyl-6-methyl-3-phenyl-2-pyridinyl)phenol

C25H21NO — CID 135900214

IUPAC2-(5-benzyl-6-methyl-3-phenyl-2-pyridinyl)phenol
SMILESCc1nc(-c2ccccc2O)c(-c2ccccc2)cc1Cc1ccccc1
InChIInChI=1S/C25H21NO/c1-18-21(16-19-10-4-2-5-11-19)17-23(20-12-6-3-7-13-20)25(26-18)22-14-8-9-15-24(22)27/h2-15,17,27H,16H2,1H3
InChIKeyCTLWQLWUORTJHL-UHFFFAOYSA-N
MW351.45 g/mol
LogP6.02
Rot. Bonds4

About 2-(5-benzyl-6-methyl-3-phenyl-2-pyridinyl)phenol

2-(5-benzyl-6-methyl-3-phenyl-2-pyridinyl)phenol (PubChem CID 135900214) has the molecular formula C25H21NO and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-(5-benzyl-6-methyl-3-phenyl-2-pyridinyl)phenol.

Molecular Properties

Compound Name2-(5-benzyl-6-methyl-3-phenyl-2-pyridinyl)phenol
PubChem CID135900214
Molecular FormulaC25H21NO
Molecular Weight351.45 g/mol
Exact Mass351.16
IUPAC Name2-(5-benzyl-6-methyl-3-phenyl-2-pyridinyl)phenol
SMILESCc1nc(-c2ccccc2O)c(-c2ccccc2)cc1Cc1ccccc1
InChIInChI=1S/C25H21NO/c1-18-21(16-19-10-4-2-5-11-19)17-23(20-12-6-3-7-13-20)25(26-18)22-14-8-9-15-24(22)27/h2-15,17,27H,16H2,1H3
InChIKeyCTLWQLWUORTJHL-UHFFFAOYSA-N
XLogP6.02
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-Quinolinyl)ethenyl]phenol
CID 2864430
4-[4,5-Bis(4-hydroxyphenyl)-1-propylpyrrol-2-yl]phenol
CID 71457218
2-(3-Phenylquinoxalin-2-yl)phenol
CID 2065030
2-Fluoranyl-3-[6-[1-(4-fluoranyl-3-oxidanyl-phenyl)ethenyl]pyridin-2-yl]phenol
CID 134158354
Quininib
CID 135411330
4-(4,6-Diphenyl-2-pyridinyl)phenol
CID 135838975
2-[(Z)-2-quinolin-2-ylethenyl]phenol
CID 136045796
4-[6-(4-Hydroxyphenyl)pyridin-2-yl]phenol
CID 647743
3-[(E)-2-quinolin-2-ylethenyl]phenol
CID 6223893
5-Fluoro-2-[3-(1-hydroxy-ethyl)-2,6-diisopropyl-5-pentyl-pyridin-4-yl]-phenol
CID 135819133
2-(3-Hydroxymethyl-2,6-diisopropyl-5-pentyl-pyridin-4-yl)-phenol
CID 135819135
5-Fluoro-2-(3-hydroxymethyl-2,6-diisopropyl-5-pentyl-pyridin-4-yl)-phenol
CID 135819137

Frequently Asked Questions

What is the IUPAC name of 2-(5-benzyl-6-methyl-3-phenyl-2-pyridinyl)phenol?
The IUPAC name of 2-(5-benzyl-6-methyl-3-phenyl-2-pyridinyl)phenol (CID 135900214) is 2-(5-benzyl-6-methyl-3-phenyl-2-pyridinyl)phenol.
What is the SMILES notation for 2-(5-benzyl-6-methyl-3-phenyl-2-pyridinyl)phenol?
The canonical SMILES for 2-(5-benzyl-6-methyl-3-phenyl-2-pyridinyl)phenol is Cc1nc(-c2ccccc2O)c(-c2ccccc2)cc1Cc1ccccc1.
What is the InChIKey of 2-(5-benzyl-6-methyl-3-phenyl-2-pyridinyl)phenol?
The InChIKey is CTLWQLWUORTJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO/c1-18-21(16-19-10-4-2-5-11-19)17-23(20-12-6-3-7-13-20)25(26-18)22-14-8-9-15-24(22)27/h2-15,17,27H,16H2,1H3.
What are the key properties of 2-(5-benzyl-6-methyl-3-phenyl-2-pyridinyl)phenol?
2-(5-benzyl-6-methyl-3-phenyl-2-pyridinyl)phenol has a molecular weight of 351.45 g/mol, XLogP of 6.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzyl-6-methyl-3-phenyl-2-pyridinyl)phenol is sourced from PubChem (CID 135900214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).