6-(2,4,5-trimethylphenyl)benzene-1,2,4-triol

C15H16O3 — CID 101299573

IUPAC6-(2,4,5-trimethylphenyl)benzene-1,2,4-triol
SMILESCc1cc(C)c(-c2cc(O)cc(O)c2O)cc1C
InChIInChI=1S/C15H16O3/c1-8-4-10(3)12(5-9(8)2)13-6-11(16)7-14(17)15(13)18/h4-7,16-18H,1-3H3
InChIKeyVVQVRVVNIIKLSJ-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.40
Rot. Bonds1

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

6-(2,4,5-trimethylphenyl)benzene-1,2,4-triol (PubChem CID 101299573) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 6-(2,4,5-trimethylphenyl)benzene-1,2,4-triol.

Molecular Properties

Compound Name6-(2,4,5-trimethylphenyl)benzene-1,2,4-triol
PubChem CID101299573
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name6-(2,4,5-trimethylphenyl)benzene-1,2,4-triol
SMILESCc1cc(C)c(-c2cc(O)cc(O)c2O)cc1C
InChIInChI=1S/C15H16O3/c1-8-4-10(3)12(5-9(8)2)13-6-11(16)7-14(17)15(13)18/h4-7,16-18H,1-3H3
InChIKeyVVQVRVVNIIKLSJ-UHFFFAOYSA-N
XLogP3.40
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4,5-trimethylphenyl)benzene-1,2,4-triol?
The IUPAC name of 6-(2,4,5-trimethylphenyl)benzene-1,2,4-triol (CID 101299573) is 6-(2,4,5-trimethylphenyl)benzene-1,2,4-triol.
What is the SMILES notation for 6-(2,4,5-trimethylphenyl)benzene-1,2,4-triol?
The canonical SMILES for 6-(2,4,5-trimethylphenyl)benzene-1,2,4-triol is Cc1cc(C)c(-c2cc(O)cc(O)c2O)cc1C.
What is the InChIKey of 6-(2,4,5-trimethylphenyl)benzene-1,2,4-triol?
The InChIKey is VVQVRVVNIIKLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-8-4-10(3)12(5-9(8)2)13-6-11(16)7-14(17)15(13)18/h4-7,16-18H,1-3H3.
What are the key properties of 6-(2,4,5-trimethylphenyl)benzene-1,2,4-triol?
6-(2,4,5-trimethylphenyl)benzene-1,2,4-triol has a molecular weight of 244.29 g/mol, XLogP of 3.40, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4,5-trimethylphenyl)benzene-1,2,4-triol is sourced from PubChem (CID 101299573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).