4-[(2,4-dimethylphenyl)methyl]-6-methylbenzene-1,3-diol

C16H18O2 — CID 162304055

IUPAC4-[(2,4-dimethylphenyl)methyl]-6-methylbenzene-1,3-diol
SMILESCc1ccc(Cc2cc(C)c(O)cc2O)c(C)c1
InChIInChI=1S/C16H18O2/c1-10-4-5-13(11(2)6-10)8-14-7-12(3)15(17)9-16(14)18/h4-7,9,17-18H,8H2,1-3H3
InChIKeyZGLIMHWISXUFDY-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.61
Rot. Bonds2

About 4-[(2,4-dimethylphenyl)methyl]-6-methylbenzene-1,3-diol

4-[(2,4-dimethylphenyl)methyl]-6-methylbenzene-1,3-diol (PubChem CID 162304055) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-[(2,4-dimethylphenyl)methyl]-6-methylbenzene-1,3-diol.

Molecular Properties

Compound Name4-[(2,4-dimethylphenyl)methyl]-6-methylbenzene-1,3-diol
PubChem CID162304055
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name4-[(2,4-dimethylphenyl)methyl]-6-methylbenzene-1,3-diol
SMILESCc1ccc(Cc2cc(C)c(O)cc2O)c(C)c1
InChIInChI=1S/C16H18O2/c1-10-4-5-13(11(2)6-10)8-14-7-12(3)15(17)9-16(14)18/h4-7,9,17-18H,8H2,1-3H3
InChIKeyZGLIMHWISXUFDY-UHFFFAOYSA-N
XLogP3.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(2,4-dimethylphenyl)methyl]-6-methylbenzene-1,3-diol 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

4-[(2-hydroxy-5-methylphenyl)methyl]-6-methylbenzene-1,3-diol
CID 70116122
4-[(4-hydroxy-2,5-dimethylphenyl)methyl]benzene-1,2,3-triol
CID 18366423
4-methyl-2-[(2,3,5-trimethylphenyl)methyl]phenol
CID 21015145
2,4-dimethylphenol
CID 67713801
4-[(2-hydroxyphenyl)methyl]-2,5-dimethylphenol
CID 18000570
2-[[4-[[4-[[4-[(4-ethyl-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-5-methylbenzene-1,4-diol
CID 153496913
CID 175892141
CID 175892141
2,4-dimethylphenol;yttrium
CID 87733318
CID 172763014
CID 172763014
2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;ethane
CID 90702119
2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;tetrachlorotungsten
CID 153466850
2,5-bis[(2-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,4-diol
CID 58625699

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethylphenyl)methyl]-6-methylbenzene-1,3-diol?
The IUPAC name of 4-[(2,4-dimethylphenyl)methyl]-6-methylbenzene-1,3-diol (CID 162304055) is 4-[(2,4-dimethylphenyl)methyl]-6-methylbenzene-1,3-diol.
What is the SMILES notation for 4-[(2,4-dimethylphenyl)methyl]-6-methylbenzene-1,3-diol?
The canonical SMILES for 4-[(2,4-dimethylphenyl)methyl]-6-methylbenzene-1,3-diol is Cc1ccc(Cc2cc(C)c(O)cc2O)c(C)c1.
What is the InChIKey of 4-[(2,4-dimethylphenyl)methyl]-6-methylbenzene-1,3-diol?
The InChIKey is ZGLIMHWISXUFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-10-4-5-13(11(2)6-10)8-14-7-12(3)15(17)9-16(14)18/h4-7,9,17-18H,8H2,1-3H3.
What are the key properties of 4-[(2,4-dimethylphenyl)methyl]-6-methylbenzene-1,3-diol?
4-[(2,4-dimethylphenyl)methyl]-6-methylbenzene-1,3-diol has a molecular weight of 242.32 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethylphenyl)methyl]-6-methylbenzene-1,3-diol is sourced from PubChem (CID 162304055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).