2,3-dimethylphenol;2,4-dimethylphenol

C16H20O2 — CID 67827029

IUPAC2,3-dimethylphenol;2,4-dimethylphenol
SMILESCc1ccc(O)c(C)c1.Cc1cccc(O)c1C
InChIInChI=1S/2C8H10O/c1-6-3-4-8(9)7(2)5-6;1-6-4-3-5-8(9)7(6)2/h2*3-5,9H,1-2H3
InChIKeyAVGPBFMPXAHVFH-UHFFFAOYSA-N
MW244.33 g/mol
LogP4.02
Rot. Bonds

About 2,3-dimethylphenol;2,4-dimethylphenol

2,3-dimethylphenol;2,4-dimethylphenol (PubChem CID 67827029) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2,3-dimethylphenol;2,4-dimethylphenol.

Molecular Properties

Compound Name2,3-dimethylphenol;2,4-dimethylphenol
PubChem CID67827029
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name2,3-dimethylphenol;2,4-dimethylphenol
SMILESCc1ccc(O)c(C)c1.Cc1cccc(O)c1C
InChIInChI=1S/2C8H10O/c1-6-3-4-8(9)7(2)5-6;1-6-4-3-5-8(9)7(6)2/h2*3-5,9H,1-2H3
InChIKeyAVGPBFMPXAHVFH-UHFFFAOYSA-N
XLogP4.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethylphenol
CID 67713801
2,4-dimethylphenol;2,6-dimethylphenol;methane
CID 162172477
CID 172763014
CID 172763014
2,4-dimethylphenol;yttrium
CID 87733318
CID 175892141
CID 175892141
2,3-dimethylphenol;2,5-dimethylphenol;zirconium;hydrochloride
CID 173197082
2,3-dimethylphenol;bis(2-methylphenol)
CID 67655814
bis(2,3-dimethylphenol);zirconium(2+);dichloride
CID 174478108
2,3-dimethylphenol;2,4-dimethylphenol;2,5-dimethylphenol;2,6-dimethylphenol;3,4-dimethylphenol;ethane-1,2-diol
CID 174805086
tert-butylphosphane;chromium;bis(2,4-dimethylphenol);hydrochloride
CID 87866072
tris(2,4-dimethylphenol);trihydroxy(sulfanylidene)-λ5-phosphane
CID 71332905
2,4-dimethylphenol;(2Z,4Z)-hexa-2,4-diene
CID 142839370

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylphenol;2,4-dimethylphenol?
The IUPAC name of 2,3-dimethylphenol;2,4-dimethylphenol (CID 67827029) is 2,3-dimethylphenol;2,4-dimethylphenol.
What is the SMILES notation for 2,3-dimethylphenol;2,4-dimethylphenol?
The canonical SMILES for 2,3-dimethylphenol;2,4-dimethylphenol is Cc1ccc(O)c(C)c1.Cc1cccc(O)c1C.
What is the InChIKey of 2,3-dimethylphenol;2,4-dimethylphenol?
The InChIKey is AVGPBFMPXAHVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H10O/c1-6-3-4-8(9)7(2)5-6;1-6-4-3-5-8(9)7(6)2/h2*3-5,9H,1-2H3.
What are the key properties of 2,3-dimethylphenol;2,4-dimethylphenol?
2,3-dimethylphenol;2,4-dimethylphenol has a molecular weight of 244.33 g/mol, XLogP of 4.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylphenol;2,4-dimethylphenol is sourced from PubChem (CID 67827029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).