2-(methoxymethyl)benzene-1,4-diol

C8H10O3 — CID 21320451

IUPAC2-(methoxymethyl)benzene-1,4-diol
SMILESCOCc1cc(O)ccc1O
InChIInChI=1S/C8H10O3/c1-11-5-6-4-7(9)2-3-8(6)10/h2-4,9-10H,5H2,1H3
InChIKeyJTWJYCAMRHQJDE-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.24
Rot. Bonds2

About 2-(methoxymethyl)benzene-1,4-diol

2-(methoxymethyl)benzene-1,4-diol (PubChem CID 21320451) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 2-(methoxymethyl)benzene-1,4-diol.

Molecular Properties

Compound Name2-(methoxymethyl)benzene-1,4-diol
PubChem CID21320451
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name2-(methoxymethyl)benzene-1,4-diol
SMILESCOCc1cc(O)ccc1O
InChIInChI=1S/C8H10O3/c1-11-5-6-4-7(9)2-3-8(6)10/h2-4,9-10H,5H2,1H3
InChIKeyJTWJYCAMRHQJDE-UHFFFAOYSA-N
XLogP1.24
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(methoxymethyl)benzene-1,4-diol?
The IUPAC name of 2-(methoxymethyl)benzene-1,4-diol (CID 21320451) is 2-(methoxymethyl)benzene-1,4-diol.
What is the SMILES notation for 2-(methoxymethyl)benzene-1,4-diol?
The canonical SMILES for 2-(methoxymethyl)benzene-1,4-diol is COCc1cc(O)ccc1O.
What is the InChIKey of 2-(methoxymethyl)benzene-1,4-diol?
The InChIKey is JTWJYCAMRHQJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-11-5-6-4-7(9)2-3-8(6)10/h2-4,9-10H,5H2,1H3.
What are the key properties of 2-(methoxymethyl)benzene-1,4-diol?
2-(methoxymethyl)benzene-1,4-diol has a molecular weight of 154.16 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)benzene-1,4-diol is sourced from PubChem (CID 21320451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).