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

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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).