3-(2,3-dimethyl-4-pyridinyl)phenol

C13H13NO — CID 20564329

IUPAC3-(2,3-dimethyl-4-pyridinyl)phenol
SMILESCc1nccc(-c2cccc(O)c2)c1C
InChIInChI=1S/C13H13NO/c1-9-10(2)14-7-6-13(9)11-4-3-5-12(15)8-11/h3-8,15H,1-2H3
InChIKeyZMNBVUXWIJLZFP-UHFFFAOYSA-N
MW199.25 g/mol
LogP3.07
Rot. Bonds1

About 3-(2,3-dimethyl-4-pyridinyl)phenol

3-(2,3-dimethyl-4-pyridinyl)phenol (PubChem CID 20564329) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-(2,3-dimethyl-4-pyridinyl)phenol.

Molecular Properties

Compound Name3-(2,3-dimethyl-4-pyridinyl)phenol
PubChem CID20564329
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name3-(2,3-dimethyl-4-pyridinyl)phenol
SMILESCc1nccc(-c2cccc(O)c2)c1C
InChIInChI=1S/C13H13NO/c1-9-10(2)14-7-6-13(9)11-4-3-5-12(15)8-11/h3-8,15H,1-2H3
InChIKeyZMNBVUXWIJLZFP-UHFFFAOYSA-N
XLogP3.07
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3,4-trimethylphenyl)phenol
CID 101298831
4-(3-hydroxyphenyl)-2,6-dimethylbenzene-1,3-diol
CID 101299851
6-(3-hydroxyphenyl)-3,4-dimethylbenzene-1,2-diol
CID 101299842
3-(8-chloroquinolin-4-yl)phenol
CID 68878761
3-(1,3-dimethylpyrazol-4-yl)phenol
CID 130752122
3-(3-hydroxyphenyl)-2-methylbenzoic acid
CID 53224960
2-methyl-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133091916
3-[2-(difluoromethyl)-4-pyridinyl]phenol
CID 165475552
3-[5-(3-hydroxyphenyl)-3,4-dimethylfuran-2-yl]phenol
CID 139763910
3-(3,4,5-trimethylphenyl)phenol
CID 101298838
3-(2,4-dimethylphenyl)phenol
CID 53218508
5-(3-hydroxyphenyl)-6-methyl-1H-pyrimidin-2-one
CID 13377503

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethyl-4-pyridinyl)phenol?
The IUPAC name of 3-(2,3-dimethyl-4-pyridinyl)phenol (CID 20564329) is 3-(2,3-dimethyl-4-pyridinyl)phenol.
What is the SMILES notation for 3-(2,3-dimethyl-4-pyridinyl)phenol?
The canonical SMILES for 3-(2,3-dimethyl-4-pyridinyl)phenol is Cc1nccc(-c2cccc(O)c2)c1C.
What is the InChIKey of 3-(2,3-dimethyl-4-pyridinyl)phenol?
The InChIKey is ZMNBVUXWIJLZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-9-10(2)14-7-6-13(9)11-4-3-5-12(15)8-11/h3-8,15H,1-2H3.
What are the key properties of 3-(2,3-dimethyl-4-pyridinyl)phenol?
3-(2,3-dimethyl-4-pyridinyl)phenol has a molecular weight of 199.25 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethyl-4-pyridinyl)phenol is sourced from PubChem (CID 20564329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).