2,6-dimethyl-4-(pyridin-3-ylmethyl)phenol

C14H15NO — CID 14771938

IUPAC2,6-dimethyl-4-(pyridin-3-ylmethyl)phenol
SMILESCc1cc(Cc2cccnc2)cc(C)c1O
InChIInChI=1S/C14H15NO/c1-10-6-13(7-11(2)14(10)16)8-12-4-3-5-15-9-12/h3-7,9,16H,8H2,1-2H3
InChIKeyBZYZSWNRSAFGAR-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.99
Rot. Bonds2

About 2,6-dimethyl-4-(pyridin-3-ylmethyl)phenol

2,6-dimethyl-4-(pyridin-3-ylmethyl)phenol (PubChem CID 14771938) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 2,6-dimethyl-4-(pyridin-3-ylmethyl)phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-(pyridin-3-ylmethyl)phenol
PubChem CID14771938
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name2,6-dimethyl-4-(pyridin-3-ylmethyl)phenol
SMILESCc1cc(Cc2cccnc2)cc(C)c1O
InChIInChI=1S/C14H15NO/c1-10-6-13(7-11(2)14(10)16)8-12-4-3-5-15-9-12/h3-7,9,16H,8H2,1-2H3
InChIKeyBZYZSWNRSAFGAR-UHFFFAOYSA-N
XLogP2.99
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(pyridin-3-ylmethyl)phenol?
The IUPAC name of 2,6-dimethyl-4-(pyridin-3-ylmethyl)phenol (CID 14771938) is 2,6-dimethyl-4-(pyridin-3-ylmethyl)phenol.
What is the SMILES notation for 2,6-dimethyl-4-(pyridin-3-ylmethyl)phenol?
The canonical SMILES for 2,6-dimethyl-4-(pyridin-3-ylmethyl)phenol is Cc1cc(Cc2cccnc2)cc(C)c1O.
What is the InChIKey of 2,6-dimethyl-4-(pyridin-3-ylmethyl)phenol?
The InChIKey is BZYZSWNRSAFGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-10-6-13(7-11(2)14(10)16)8-12-4-3-5-15-9-12/h3-7,9,16H,8H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-(pyridin-3-ylmethyl)phenol?
2,6-dimethyl-4-(pyridin-3-ylmethyl)phenol has a molecular weight of 213.28 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(pyridin-3-ylmethyl)phenol is sourced from PubChem (CID 14771938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).