2,5-dimethylphenol

C8H10O — CID 7267

IUPAC2,5-dimethylphenol
SMILESCc1ccc(C)c(O)c1
InChIInChI=1S/C8H10O/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3
InChIKeyNKTOLZVEWDHZMU-UHFFFAOYSA-N
MW122.17 g/mol
LogP2.01
Rot. Bonds

About 2,5-dimethylphenol

2,5-dimethylphenol (PubChem CID 7267) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is 2,5-dimethylphenol.

Molecular Properties

Compound Name2,5-dimethylphenol
PubChem CID7267
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name2,5-dimethylphenol
SMILESCc1ccc(C)c(O)c1
InChIInChI=1S/C8H10O/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3
InChIKeyNKTOLZVEWDHZMU-UHFFFAOYSA-N
XLogP2.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylphenol?
The IUPAC name of 2,5-dimethylphenol (CID 7267) is 2,5-dimethylphenol.
What is the SMILES notation for 2,5-dimethylphenol?
The canonical SMILES for 2,5-dimethylphenol is Cc1ccc(C)c(O)c1.
What is the InChIKey of 2,5-dimethylphenol?
The InChIKey is NKTOLZVEWDHZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3.
What are the key properties of 2,5-dimethylphenol?
2,5-dimethylphenol has a molecular weight of 122.17 g/mol, XLogP of 2.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylphenol is sourced from PubChem (CID 7267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).