2-(2,6-dimethylphenyl)-5-methylbenzene-1,3-diol

C15H16O2 — CID 101299108

IUPAC2-(2,6-dimethylphenyl)-5-methylbenzene-1,3-diol
SMILESCc1cc(O)c(-c2c(C)cccc2C)c(O)c1
InChIInChI=1S/C15H16O2/c1-9-7-12(16)15(13(17)8-9)14-10(2)5-4-6-11(14)3/h4-8,16-17H,1-3H3
InChIKeyGYKCLWRRJWUYOA-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.69
Rot. Bonds1

About 2-(2,6-dimethylphenyl)-5-methylbenzene-1,3-diol

2-(2,6-dimethylphenyl)-5-methylbenzene-1,3-diol (PubChem CID 101299108) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-5-methylbenzene-1,3-diol.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-5-methylbenzene-1,3-diol
PubChem CID101299108
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name2-(2,6-dimethylphenyl)-5-methylbenzene-1,3-diol
SMILESCc1cc(O)c(-c2c(C)cccc2C)c(O)c1
InChIInChI=1S/C15H16O2/c1-9-7-12(16)15(13(17)8-9)14-10(2)5-4-6-11(14)3/h4-8,16-17H,1-3H3
InChIKeyGYKCLWRRJWUYOA-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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-5-methylbenzene-1,3-diol?
The IUPAC name of 2-(2,6-dimethylphenyl)-5-methylbenzene-1,3-diol (CID 101299108) is 2-(2,6-dimethylphenyl)-5-methylbenzene-1,3-diol.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-5-methylbenzene-1,3-diol?
The canonical SMILES for 2-(2,6-dimethylphenyl)-5-methylbenzene-1,3-diol is Cc1cc(O)c(-c2c(C)cccc2C)c(O)c1.
What is the InChIKey of 2-(2,6-dimethylphenyl)-5-methylbenzene-1,3-diol?
The InChIKey is GYKCLWRRJWUYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-9-7-12(16)15(13(17)8-9)14-10(2)5-4-6-11(14)3/h4-8,16-17H,1-3H3.
What are the key properties of 2-(2,6-dimethylphenyl)-5-methylbenzene-1,3-diol?
2-(2,6-dimethylphenyl)-5-methylbenzene-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 2-(2,6-dimethylphenyl)-5-methylbenzene-1,3-diol is sourced from PubChem (CID 101299108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).