5-(4-hydroxy-3,5-dimethylphenyl)-3-methylbenzene-1,2-diol

C15H16O3 — CID 130228173

IUPAC5-(4-hydroxy-3,5-dimethylphenyl)-3-methylbenzene-1,2-diol
SMILESCc1cc(-c2cc(C)c(O)c(O)c2)cc(C)c1O
InChIInChI=1S/C15H16O3/c1-8-4-11(5-9(2)14(8)17)12-6-10(3)15(18)13(16)7-12/h4-7,16-18H,1-3H3
InChIKeySRJDQFWBUNVZKL-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.40
Rot. Bonds1

About 5-(4-hydroxy-3,5-dimethylphenyl)-3-methylbenzene-1,2-diol

5-(4-hydroxy-3,5-dimethylphenyl)-3-methylbenzene-1,2-diol (PubChem CID 130228173) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-(4-hydroxy-3,5-dimethylphenyl)-3-methylbenzene-1,2-diol.

Molecular Properties

Compound Name5-(4-hydroxy-3,5-dimethylphenyl)-3-methylbenzene-1,2-diol
PubChem CID130228173
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name5-(4-hydroxy-3,5-dimethylphenyl)-3-methylbenzene-1,2-diol
SMILESCc1cc(-c2cc(C)c(O)c(O)c2)cc(C)c1O
InChIInChI=1S/C15H16O3/c1-8-4-11(5-9(2)14(8)17)12-6-10(3)15(18)13(16)7-12/h4-7,16-18H,1-3H3
InChIKeySRJDQFWBUNVZKL-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'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-3,5-dimethylphenyl)-3-methylbenzene-1,2-diol?
The IUPAC name of 5-(4-hydroxy-3,5-dimethylphenyl)-3-methylbenzene-1,2-diol (CID 130228173) is 5-(4-hydroxy-3,5-dimethylphenyl)-3-methylbenzene-1,2-diol.
What is the SMILES notation for 5-(4-hydroxy-3,5-dimethylphenyl)-3-methylbenzene-1,2-diol?
The canonical SMILES for 5-(4-hydroxy-3,5-dimethylphenyl)-3-methylbenzene-1,2-diol is Cc1cc(-c2cc(C)c(O)c(O)c2)cc(C)c1O.
What is the InChIKey of 5-(4-hydroxy-3,5-dimethylphenyl)-3-methylbenzene-1,2-diol?
The InChIKey is SRJDQFWBUNVZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-8-4-11(5-9(2)14(8)17)12-6-10(3)15(18)13(16)7-12/h4-7,16-18H,1-3H3.
What are the key properties of 5-(4-hydroxy-3,5-dimethylphenyl)-3-methylbenzene-1,2-diol?
5-(4-hydroxy-3,5-dimethylphenyl)-3-methylbenzene-1,2-diol 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 5-(4-hydroxy-3,5-dimethylphenyl)-3-methylbenzene-1,2-diol is sourced from PubChem (CID 130228173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).