5-(2,4,6-trimethylphenyl)benzene-1,3-diol

C15H16O2 — CID 101299183

IUPAC5-(2,4,6-trimethylphenyl)benzene-1,3-diol
SMILESCc1cc(C)c(-c2cc(O)cc(O)c2)c(C)c1
InChIInChI=1S/C15H16O2/c1-9-4-10(2)15(11(3)5-9)12-6-13(16)8-14(17)7-12/h4-8,16-17H,1-3H3
InChIKeyMRROBIWPDVNECH-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.69
Rot. Bonds1

About 5-(2,4,6-trimethylphenyl)benzene-1,3-diol

5-(2,4,6-trimethylphenyl)benzene-1,3-diol (PubChem CID 101299183) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 5-(2,4,6-trimethylphenyl)benzene-1,3-diol.

Molecular Properties

Compound Name5-(2,4,6-trimethylphenyl)benzene-1,3-diol
PubChem CID101299183
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name5-(2,4,6-trimethylphenyl)benzene-1,3-diol
SMILESCc1cc(C)c(-c2cc(O)cc(O)c2)c(C)c1
InChIInChI=1S/C15H16O2/c1-9-4-10(2)15(11(3)5-9)12-6-13(16)8-14(17)7-12/h4-8,16-17H,1-3H3
InChIKeyMRROBIWPDVNECH-UHFFFAOYSA-N
XLogP3.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(2,4,6-trimethylphenyl)benzene-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

5-(4-hydroxy-2,6-dimethylphenyl)benzene-1,3-diol
CID 101299469
2,6-dibromo-4-(2,4,6-trimethylphenyl)phenol
CID 154609906
benzene-1,3,5-triol;1,3,5-trimethylbenzene
CID 175059565
5-(6-hydroxy-2,3,4-trimethylphenyl)benzene-1,3-diol
CID 101299652
2-(3-hydroxy-5-methylphenyl)-3-methylphenol
CID 101298988
carbanide;3,5-dimethylphenol;titanium(2+)
CID 174659955
2-(3-hydroxy-5-methylphenyl)-4,6-dimethylphenol
CID 101299248
3,5-dimethyl-4-(3-methylphenyl)phenol
CID 101298795
1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene
CID 135033708
2-(4-iodophenyl)-1,3,5-trimethylbenzene
CID 71396711
4-(2-methoxy-4,6-dimethylphenyl)phenol
CID 106681641
5-methylbenzene-1,3-diol;propane
CID 70587781

Frequently Asked Questions

What is the IUPAC name of 5-(2,4,6-trimethylphenyl)benzene-1,3-diol?
The IUPAC name of 5-(2,4,6-trimethylphenyl)benzene-1,3-diol (CID 101299183) is 5-(2,4,6-trimethylphenyl)benzene-1,3-diol.
What is the SMILES notation for 5-(2,4,6-trimethylphenyl)benzene-1,3-diol?
The canonical SMILES for 5-(2,4,6-trimethylphenyl)benzene-1,3-diol is Cc1cc(C)c(-c2cc(O)cc(O)c2)c(C)c1.
What is the InChIKey of 5-(2,4,6-trimethylphenyl)benzene-1,3-diol?
The InChIKey is MRROBIWPDVNECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-9-4-10(2)15(11(3)5-9)12-6-13(16)8-14(17)7-12/h4-8,16-17H,1-3H3.
What are the key properties of 5-(2,4,6-trimethylphenyl)benzene-1,3-diol?
5-(2,4,6-trimethylphenyl)benzene-1,3-diol has a molecular weight of 228.29 g/mol, XLogP of 3.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4,6-trimethylphenyl)benzene-1,3-diol is sourced from PubChem (CID 101299183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).