3,5-dimethylphenol

C8H10O — CID 7948

IUPAC3,5-dimethylphenol
SMILESCc1cc(C)cc(O)c1
InChIInChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3
InChIKeyTUAMRELNJMMDMT-UHFFFAOYSA-N
MW122.17 g/mol
LogP2.01
Rot. Bonds

About 3,5-dimethylphenol

3,5-dimethylphenol (PubChem CID 7948) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is 3,5-dimethylphenol.

Molecular Properties

Compound Name3,5-dimethylphenol
PubChem CID7948
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name3,5-dimethylphenol
SMILESCc1cc(C)cc(O)c1
InChIInChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3
InChIKeyTUAMRELNJMMDMT-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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Related Compounds

4-tert-Pentylphenol
CID 6643
P-Cresol
CID 2879
Thymol
CID 6989
O-Cresol
CID 335
M-Cresol
CID 342
2,4-Dimethylphenol
CID 7771
Tert-Butylhydroquinone
CID 16043
4-Chloro-3,5-dimethylphenol
CID 2723
4-tert-Butylphenol
CID 7393
4-Nonylphenol
CID 1752
2,5-Dimethylphenol
CID 7267
2,4-Di-tert-butylphenol
CID 7311

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylphenol?
The IUPAC name of 3,5-dimethylphenol (CID 7948) is 3,5-dimethylphenol.
What is the SMILES notation for 3,5-dimethylphenol?
The canonical SMILES for 3,5-dimethylphenol is Cc1cc(C)cc(O)c1.
What is the InChIKey of 3,5-dimethylphenol?
The InChIKey is TUAMRELNJMMDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3.
What are the key properties of 3,5-dimethylphenol?
3,5-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 3,5-dimethylphenol is sourced from PubChem (CID 7948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).