4-ethyl-5-methylbenzene-1,2-diol

C9H12O2 — CID 66591490

IUPAC4-ethyl-5-methylbenzene-1,2-diol
SMILESCCc1cc(O)c(O)cc1C
InChIInChI=1S/C9H12O2/c1-3-7-5-9(11)8(10)4-6(7)2/h4-5,10-11H,3H2,1-2H3
InChIKeyQQAYDUPAKYYOFK-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.97
Rot. Bonds1

About 4-ethyl-5-methylbenzene-1,2-diol

4-ethyl-5-methylbenzene-1,2-diol (PubChem CID 66591490) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 4-ethyl-5-methylbenzene-1,2-diol.

Molecular Properties

Compound Name4-ethyl-5-methylbenzene-1,2-diol
PubChem CID66591490
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name4-ethyl-5-methylbenzene-1,2-diol
SMILESCCc1cc(O)c(O)cc1C
InChIInChI=1S/C9H12O2/c1-3-7-5-9(11)8(10)4-6(7)2/h4-5,10-11H,3H2,1-2H3
InChIKeyQQAYDUPAKYYOFK-UHFFFAOYSA-N
XLogP1.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.97
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 4-ethyl-5-methylbenzene-1,2-diol?
The IUPAC name of 4-ethyl-5-methylbenzene-1,2-diol (CID 66591490) is 4-ethyl-5-methylbenzene-1,2-diol.
What is the SMILES notation for 4-ethyl-5-methylbenzene-1,2-diol?
The canonical SMILES for 4-ethyl-5-methylbenzene-1,2-diol is CCc1cc(O)c(O)cc1C.
What is the InChIKey of 4-ethyl-5-methylbenzene-1,2-diol?
The InChIKey is QQAYDUPAKYYOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-3-7-5-9(11)8(10)4-6(7)2/h4-5,10-11H,3H2,1-2H3.
What are the key properties of 4-ethyl-5-methylbenzene-1,2-diol?
4-ethyl-5-methylbenzene-1,2-diol has a molecular weight of 152.19 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methylbenzene-1,2-diol is sourced from PubChem (CID 66591490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).