2-ethylbenzene-1,4-diol

C8H10O2 — CID 3083760

IUPAC2-ethylbenzene-1,4-diol
SMILESCCc1cc(O)ccc1O
InChIInChI=1S/C8H10O2/c1-2-6-5-7(9)3-4-8(6)10/h3-5,9-10H,2H2,1H3
InChIKeyVJIDDJAKLVOBSE-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.66
Rot. Bonds1

About 2-ethylbenzene-1,4-diol

2-ethylbenzene-1,4-diol (PubChem CID 3083760) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-ethylbenzene-1,4-diol.

Molecular Properties

Compound Name2-ethylbenzene-1,4-diol
PubChem CID3083760
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name2-ethylbenzene-1,4-diol
SMILESCCc1cc(O)ccc1O
InChIInChI=1S/C8H10O2/c1-2-6-5-7(9)3-4-8(6)10/h3-5,9-10H,2H2,1H3
InChIKeyVJIDDJAKLVOBSE-UHFFFAOYSA-N
XLogP1.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethylbenzene-1,4-diol?
The IUPAC name of 2-ethylbenzene-1,4-diol (CID 3083760) is 2-ethylbenzene-1,4-diol.
What is the SMILES notation for 2-ethylbenzene-1,4-diol?
The canonical SMILES for 2-ethylbenzene-1,4-diol is CCc1cc(O)ccc1O.
What is the InChIKey of 2-ethylbenzene-1,4-diol?
The InChIKey is VJIDDJAKLVOBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-2-6-5-7(9)3-4-8(6)10/h3-5,9-10H,2H2,1H3.
What are the key properties of 2-ethylbenzene-1,4-diol?
2-ethylbenzene-1,4-diol has a molecular weight of 138.17 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbenzene-1,4-diol is sourced from PubChem (CID 3083760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).