2-methylbenzene-1,3-diol

C7H8O2 — CID 11843

IUPAC2-methylbenzene-1,3-diol
SMILESCc1c(O)cccc1O
InChIInChI=1S/C7H8O2/c1-5-6(8)3-2-4-7(5)9/h2-4,8-9H,1H3
InChIKeyZTMADXFOCUXMJE-UHFFFAOYSA-N
MW124.14 g/mol
LogP1.41
Rot. Bonds

About 2-methylbenzene-1,3-diol

2-methylbenzene-1,3-diol (PubChem CID 11843) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is 2-methylbenzene-1,3-diol.

Molecular Properties

Compound Name2-methylbenzene-1,3-diol
PubChem CID11843
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Name2-methylbenzene-1,3-diol
SMILESCc1c(O)cccc1O
InChIInChI=1S/C7H8O2/c1-5-6(8)3-2-4-7(5)9/h2-4,8-9H,1H3
InChIKeyZTMADXFOCUXMJE-UHFFFAOYSA-N
XLogP1.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylbenzene-1,3-diol?
The IUPAC name of 2-methylbenzene-1,3-diol (CID 11843) is 2-methylbenzene-1,3-diol.
What is the SMILES notation for 2-methylbenzene-1,3-diol?
The canonical SMILES for 2-methylbenzene-1,3-diol is Cc1c(O)cccc1O.
What is the InChIKey of 2-methylbenzene-1,3-diol?
The InChIKey is ZTMADXFOCUXMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2/c1-5-6(8)3-2-4-7(5)9/h2-4,8-9H,1H3.
What are the key properties of 2-methylbenzene-1,3-diol?
2-methylbenzene-1,3-diol has a molecular weight of 124.14 g/mol, XLogP of 1.41, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbenzene-1,3-diol is sourced from PubChem (CID 11843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).