2,4-dimethyl-5-(6-methyl-3-pyridinyl)phenol

C14H15NO — CID 123421037

IUPAC2,4-dimethyl-5-(6-methyl-3-pyridinyl)phenol
SMILESCc1ccc(-c2cc(O)c(C)cc2C)cn1
InChIInChI=1S/C14H15NO/c1-9-6-10(2)14(16)7-13(9)12-5-4-11(3)15-8-12/h4-8,16H,1-3H3
InChIKeyDXGDPUWVIOUBQT-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.38
Rot. Bonds1

About 2,4-dimethyl-5-(6-methyl-3-pyridinyl)phenol

2,4-dimethyl-5-(6-methyl-3-pyridinyl)phenol (PubChem CID 123421037) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 2,4-dimethyl-5-(6-methyl-3-pyridinyl)phenol.

Molecular Properties

Compound Name2,4-dimethyl-5-(6-methyl-3-pyridinyl)phenol
PubChem CID123421037
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name2,4-dimethyl-5-(6-methyl-3-pyridinyl)phenol
SMILESCc1ccc(-c2cc(O)c(C)cc2C)cn1
InChIInChI=1S/C14H15NO/c1-9-6-10(2)14(16)7-13(9)12-5-4-11(3)15-8-12/h4-8,16H,1-3H3
InChIKeyDXGDPUWVIOUBQT-UHFFFAOYSA-N
XLogP3.38
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(6-methyl-3-pyridinyl)phenol?
The IUPAC name of 2,4-dimethyl-5-(6-methyl-3-pyridinyl)phenol (CID 123421037) is 2,4-dimethyl-5-(6-methyl-3-pyridinyl)phenol.
What is the SMILES notation for 2,4-dimethyl-5-(6-methyl-3-pyridinyl)phenol?
The canonical SMILES for 2,4-dimethyl-5-(6-methyl-3-pyridinyl)phenol is Cc1ccc(-c2cc(O)c(C)cc2C)cn1.
What is the InChIKey of 2,4-dimethyl-5-(6-methyl-3-pyridinyl)phenol?
The InChIKey is DXGDPUWVIOUBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-9-6-10(2)14(16)7-13(9)12-5-4-11(3)15-8-12/h4-8,16H,1-3H3.
What are the key properties of 2,4-dimethyl-5-(6-methyl-3-pyridinyl)phenol?
2,4-dimethyl-5-(6-methyl-3-pyridinyl)phenol has a molecular weight of 213.28 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(6-methyl-3-pyridinyl)phenol is sourced from PubChem (CID 123421037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).