2,3-dimethylphenol;bis(2-methylphenol)

C22H26O3 — CID 67655814

IUPAC2,3-dimethylphenol;bis(2-methylphenol)
SMILESCc1cccc(O)c1C.Cc1ccccc1O.Cc1ccccc1O
InChIInChI=1S/C8H10O.2C7H8O/c1-6-4-3-5-8(9)7(6)2;2*1-6-4-2-3-5-7(6)8/h3-5,9H,1-2H3;2*2-5,8H,1H3
InChIKeyIQSGUJCEZIUCTO-UHFFFAOYSA-N
MW338.45 g/mol
LogP5.41
Rot. Bonds

About 2,3-dimethylphenol;bis(2-methylphenol)

2,3-dimethylphenol;bis(2-methylphenol) (PubChem CID 67655814) has the molecular formula C22H26O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2,3-dimethylphenol;bis(2-methylphenol).

Molecular Properties

Compound Name2,3-dimethylphenol;bis(2-methylphenol)
PubChem CID67655814
Molecular FormulaC22H26O3
Molecular Weight338.45 g/mol
Exact Mass338.19
IUPAC Name2,3-dimethylphenol;bis(2-methylphenol)
SMILESCc1cccc(O)c1C.Cc1ccccc1O.Cc1ccccc1O
InChIInChI=1S/C8H10O.2C7H8O/c1-6-4-3-5-8(9)7(6)2;2*1-6-4-2-3-5-7(6)8/h3-5,9H,1-2H3;2*2-5,8H,1H3
InChIKeyIQSGUJCEZIUCTO-UHFFFAOYSA-N
XLogP5.41
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 55.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

bis(2,3-dimethylphenol);zirconium(2+);dichloride
CID 174478108
ethane;2-methylphenol
CID 54326461
zinc 2-methylphenol
CID 10374903
hydrazine;2-methylphenol
CID 174667823
methanamine;2-methylphenol
CID 19359053
2,3-dimethylphenol;sulfuric acid
CID 70184177
2,3-dimethylphenol;2,4-dimethylphenol
CID 67827029
cyclohexane;2-methylphenol
CID 70504255
2,3-dimethylphenol;pyridine
CID 174895721
cyclopenta-1,3-diene;2,3-dimethylphenol
CID 170171549
2,3-dimethylphenol;2,5-dimethylphenol;zirconium;hydrochloride
CID 173197082
2-methylbenzene-1,3-diol
CID 139200813

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylphenol;bis(2-methylphenol)?
The IUPAC name of 2,3-dimethylphenol;bis(2-methylphenol) (CID 67655814) is 2,3-dimethylphenol;bis(2-methylphenol).
What is the SMILES notation for 2,3-dimethylphenol;bis(2-methylphenol)?
The canonical SMILES for 2,3-dimethylphenol;bis(2-methylphenol) is Cc1cccc(O)c1C.Cc1ccccc1O.Cc1ccccc1O.
What is the InChIKey of 2,3-dimethylphenol;bis(2-methylphenol)?
The InChIKey is IQSGUJCEZIUCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.2C7H8O/c1-6-4-3-5-8(9)7(6)2;2*1-6-4-2-3-5-7(6)8/h3-5,9H,1-2H3;2*2-5,8H,1H3.
What are the key properties of 2,3-dimethylphenol;bis(2-methylphenol)?
2,3-dimethylphenol;bis(2-methylphenol) has a molecular weight of 338.45 g/mol, XLogP of 5.41, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylphenol;bis(2-methylphenol) is sourced from PubChem (CID 67655814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).