2-(3-methoxy-2-pyridinyl)-4-methylphenol

C13H13NO2 — CID 136817093

IUPAC2-(3-methoxy-2-pyridinyl)-4-methylphenol
SMILESCOc1cccnc1-c1cc(C)ccc1O
InChIInChI=1S/C13H13NO2/c1-9-5-6-11(15)10(8-9)13-12(16-2)4-3-7-14-13/h3-8,15H,1-2H3
InChIKeyDTLGSAATOJAECN-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.77
Rot. Bonds2

About 2-(3-methoxy-2-pyridinyl)-4-methylphenol

2-(3-methoxy-2-pyridinyl)-4-methylphenol (PubChem CID 136817093) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-(3-methoxy-2-pyridinyl)-4-methylphenol.

Molecular Properties

Compound Name2-(3-methoxy-2-pyridinyl)-4-methylphenol
PubChem CID136817093
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name2-(3-methoxy-2-pyridinyl)-4-methylphenol
SMILESCOc1cccnc1-c1cc(C)ccc1O
InChIInChI=1S/C13H13NO2/c1-9-5-6-11(15)10(8-9)13-12(16-2)4-3-7-14-13/h3-8,15H,1-2H3
InChIKeyDTLGSAATOJAECN-UHFFFAOYSA-N
XLogP2.77
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-methoxy-2-pyridinyl)-4-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methoxypyrazin-2-yl)-4-methylphenol
CID 136919797
2-(2-methoxyphenyl)-4-methylphenol
CID 79020215
2-(2-methoxy-6-methylphenyl)-4-methylphenol
CID 165349659
2-(2,3-dimethylphenyl)-3-methoxypyridine
CID 90122574
2-(2,4-difluorophenyl)-3-methoxypyridine
CID 90122660
4-(3-methoxy-2-pyridinyl)-6-methylpyridine-3-carbaldehyde
CID 167102927
4-chloro-2-[1-(3-methoxy-2-pyridinyl)imidazo[1,5-a]pyridin-3-yl]phenol
CID 155115100
2-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methoxypyridine
CID 90122737
4-methyl-2-(2-methyl-4-pyridinyl)phenol
CID 136955352
2-(2,3-dichlorophenyl)-3-methoxypyridine
CID 90122655
[2-(2-methoxy-5-methylphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 74249651
sodium;hydride;2-methoxy-4-methylphenol
CID 174706082

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-2-pyridinyl)-4-methylphenol?
The IUPAC name of 2-(3-methoxy-2-pyridinyl)-4-methylphenol (CID 136817093) is 2-(3-methoxy-2-pyridinyl)-4-methylphenol.
What is the SMILES notation for 2-(3-methoxy-2-pyridinyl)-4-methylphenol?
The canonical SMILES for 2-(3-methoxy-2-pyridinyl)-4-methylphenol is COc1cccnc1-c1cc(C)ccc1O.
What is the InChIKey of 2-(3-methoxy-2-pyridinyl)-4-methylphenol?
The InChIKey is DTLGSAATOJAECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-9-5-6-11(15)10(8-9)13-12(16-2)4-3-7-14-13/h3-8,15H,1-2H3.
What are the key properties of 2-(3-methoxy-2-pyridinyl)-4-methylphenol?
2-(3-methoxy-2-pyridinyl)-4-methylphenol has a molecular weight of 215.25 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-2-pyridinyl)-4-methylphenol is sourced from PubChem (CID 136817093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).