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

C15H16O2 — CID 101299187

IUPAC2-(2,3,6-trimethylphenyl)benzene-1,4-diol
SMILESCc1ccc(C)c(-c2cc(O)ccc2O)c1C
InChIInChI=1S/C15H16O2/c1-9-4-5-10(2)15(11(9)3)13-8-12(16)6-7-14(13)17/h4-8,16-17H,1-3H3
InChIKeyBOMHMFFSYCJDLN-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.69
Rot. Bonds1

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

2-(2,3,6-trimethylphenyl)benzene-1,4-diol (PubChem CID 101299187) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(2,3,6-trimethylphenyl)benzene-1,4-diol.

Molecular Properties

Compound Name2-(2,3,6-trimethylphenyl)benzene-1,4-diol
PubChem CID101299187
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name2-(2,3,6-trimethylphenyl)benzene-1,4-diol
SMILESCc1ccc(C)c(-c2cc(O)ccc2O)c1C
InChIInChI=1S/C15H16O2/c1-9-4-5-10(2)15(11(9)3)13-8-12(16)6-7-14(13)17/h4-8,16-17H,1-3H3
InChIKeyBOMHMFFSYCJDLN-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,6-trimethylphenyl)benzene-1,4-diol?
The IUPAC name of 2-(2,3,6-trimethylphenyl)benzene-1,4-diol (CID 101299187) is 2-(2,3,6-trimethylphenyl)benzene-1,4-diol.
What is the SMILES notation for 2-(2,3,6-trimethylphenyl)benzene-1,4-diol?
The canonical SMILES for 2-(2,3,6-trimethylphenyl)benzene-1,4-diol is Cc1ccc(C)c(-c2cc(O)ccc2O)c1C.
What is the InChIKey of 2-(2,3,6-trimethylphenyl)benzene-1,4-diol?
The InChIKey is BOMHMFFSYCJDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-9-4-5-10(2)15(11(9)3)13-8-12(16)6-7-14(13)17/h4-8,16-17H,1-3H3.
What are the key properties of 2-(2,3,6-trimethylphenyl)benzene-1,4-diol?
2-(2,3,6-trimethylphenyl)benzene-1,4-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-(2,3,6-trimethylphenyl)benzene-1,4-diol is sourced from PubChem (CID 101299187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).