2,4-dimethylphenol

C16H20O2 — CID 67713801

IUPAC2,4-dimethylphenol
SMILESCc1ccc(O)c(C)c1.Cc1ccc(O)c(C)c1
InChIInChI=1S/2C8H10O/c2*1-6-3-4-8(9)7(2)5-6/h2*3-5,9H,1-2H3
InChIKeyXEVXVMMEBUNUAF-UHFFFAOYSA-N
MW244.33 g/mol
LogP4.02
Rot. Bonds

About 2,4-dimethylphenol

2,4-dimethylphenol (PubChem CID 67713801) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2,4-dimethylphenol.

Molecular Properties

Compound Name2,4-dimethylphenol
PubChem CID67713801
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name2,4-dimethylphenol
SMILESCc1ccc(O)c(C)c1.Cc1ccc(O)c(C)c1
InChIInChI=1S/2C8H10O/c2*1-6-3-4-8(9)7(2)5-6/h2*3-5,9H,1-2H3
InChIKeyXEVXVMMEBUNUAF-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

Analyze 2,4-dimethylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 175892141
CID 175892141
2,4-dimethylphenol;yttrium
CID 87733318
CID 172763014
CID 172763014
tris(2,4-dimethylphenol);trihydroxy(sulfanylidene)-λ5-phosphane
CID 71332905
2,4-dimethylphenol;(2Z,4Z)-hexa-2,4-diene
CID 142839370
2,4-dimethylphenol;2,6-dimethylphenol;methane
CID 162172477
tert-butylphosphane;chromium;bis(2,4-dimethylphenol);hydrochloride
CID 87866072
2,3-dimethylphenol;2,4-dimethylphenol
CID 67827029
4-(2,4-dimethylphenyl)-2-methylphenol
CID 53218818
2,4-dimethylphenol;1-methylpyrrolidine
CID 171834752
chromium;bis(2,4-dimethylphenol);phenylphosphane;hydrochloride
CID 87866037
butane;2,4-dimethylphenol;2-methylpentane
CID 143520980

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylphenol?
The IUPAC name of 2,4-dimethylphenol (CID 67713801) is 2,4-dimethylphenol.
What is the SMILES notation for 2,4-dimethylphenol?
The canonical SMILES for 2,4-dimethylphenol is Cc1ccc(O)c(C)c1.Cc1ccc(O)c(C)c1.
What is the InChIKey of 2,4-dimethylphenol?
The InChIKey is XEVXVMMEBUNUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H10O/c2*1-6-3-4-8(9)7(2)5-6/h2*3-5,9H,1-2H3.
What are the key properties of 2,4-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 2,4-dimethylphenol is sourced from PubChem (CID 67713801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).