3,6-dimethylbenzene-1,2-diol

C8H10O2 — CID 11469114

IUPAC3,6-dimethylbenzene-1,2-diol
SMILESCc1ccc(C)c(O)c1O
InChIInChI=1S/C8H10O2/c1-5-3-4-6(2)8(10)7(5)9/h3-4,9-10H,1-2H3
InChIKeyRGUZWBOJHNWZOK-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.71
Rot. Bonds

About 3,6-dimethylbenzene-1,2-diol

3,6-dimethylbenzene-1,2-diol (PubChem CID 11469114) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 3,6-dimethylbenzene-1,2-diol.

Molecular Properties

Compound Name3,6-dimethylbenzene-1,2-diol
PubChem CID11469114
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name3,6-dimethylbenzene-1,2-diol
SMILESCc1ccc(C)c(O)c1O
InChIInChI=1S/C8H10O2/c1-5-3-4-6(2)8(10)7(5)9/h3-4,9-10H,1-2H3
InChIKeyRGUZWBOJHNWZOK-UHFFFAOYSA-N
XLogP1.71
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3,6-dimethylbenzene-1,2-diol?
The IUPAC name of 3,6-dimethylbenzene-1,2-diol (CID 11469114) is 3,6-dimethylbenzene-1,2-diol.
What is the SMILES notation for 3,6-dimethylbenzene-1,2-diol?
The canonical SMILES for 3,6-dimethylbenzene-1,2-diol is Cc1ccc(C)c(O)c1O.
What is the InChIKey of 3,6-dimethylbenzene-1,2-diol?
The InChIKey is RGUZWBOJHNWZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-5-3-4-6(2)8(10)7(5)9/h3-4,9-10H,1-2H3.
What are the key properties of 3,6-dimethylbenzene-1,2-diol?
3,6-dimethylbenzene-1,2-diol has a molecular weight of 138.17 g/mol, XLogP of 1.71, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethylbenzene-1,2-diol is sourced from PubChem (CID 11469114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).