3,4-dimethylphenol

C8H10O — CID 7249

IUPAC3,4-dimethylphenol
SMILESCc1ccc(O)cc1C
InChIInChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3
InChIKeyYCOXTKKNXUZSKD-UHFFFAOYSA-N
MW122.17 g/mol
LogP2.01
Rot. Bonds

About 3,4-dimethylphenol

3,4-dimethylphenol (PubChem CID 7249) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is 3,4-dimethylphenol.

Molecular Properties

Compound Name3,4-dimethylphenol
PubChem CID7249
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name3,4-dimethylphenol
SMILESCc1ccc(O)cc1C
InChIInChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3
InChIKeyYCOXTKKNXUZSKD-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 3,4-dimethylphenol?
The IUPAC name of 3,4-dimethylphenol (CID 7249) is 3,4-dimethylphenol.
What is the SMILES notation for 3,4-dimethylphenol?
The canonical SMILES for 3,4-dimethylphenol is Cc1ccc(O)cc1C.
What is the InChIKey of 3,4-dimethylphenol?
The InChIKey is YCOXTKKNXUZSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3.
What are the key properties of 3,4-dimethylphenol?
3,4-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 3,4-dimethylphenol is sourced from PubChem (CID 7249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).