2-[(2,5-dihydroxyphenyl)methoxymethyl]benzene-1,4-diol

C14H14O5 — CID 24770503

IUPAC2-[(2,5-dihydroxyphenyl)methoxymethyl]benzene-1,4-diol
SMILESOc1ccc(O)c(COCc2cc(O)ccc2O)c1
InChIInChI=1S/C14H14O5/c15-11-1-3-13(17)9(5-11)7-19-8-10-6-12(16)2-4-14(10)18/h1-6,15-18H,7-8H2
InChIKeyGVXQAQDFTPTJMX-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.23
Rot. Bonds4

About 2-[(2,5-dihydroxyphenyl)methoxymethyl]benzene-1,4-diol

2-[(2,5-dihydroxyphenyl)methoxymethyl]benzene-1,4-diol (PubChem CID 24770503) has the molecular formula C14H14O5 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-[(2,5-dihydroxyphenyl)methoxymethyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[(2,5-dihydroxyphenyl)methoxymethyl]benzene-1,4-diol
PubChem CID24770503
Molecular FormulaC14H14O5
Molecular Weight262.26 g/mol
Exact Mass262.08
IUPAC Name2-[(2,5-dihydroxyphenyl)methoxymethyl]benzene-1,4-diol
SMILESOc1ccc(O)c(COCc2cc(O)ccc2O)c1
InChIInChI=1S/C14H14O5/c15-11-1-3-13(17)9(5-11)7-19-8-10-6-12(16)2-4-14(10)18/h1-6,15-18H,7-8H2
InChIKeyGVXQAQDFTPTJMX-UHFFFAOYSA-N
XLogP2.23
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-[(2,5-dihydroxyphenyl)methoxymethyl]benzene-1,4-diol?
The IUPAC name of 2-[(2,5-dihydroxyphenyl)methoxymethyl]benzene-1,4-diol (CID 24770503) is 2-[(2,5-dihydroxyphenyl)methoxymethyl]benzene-1,4-diol.
What is the SMILES notation for 2-[(2,5-dihydroxyphenyl)methoxymethyl]benzene-1,4-diol?
The canonical SMILES for 2-[(2,5-dihydroxyphenyl)methoxymethyl]benzene-1,4-diol is Oc1ccc(O)c(COCc2cc(O)ccc2O)c1.
What is the InChIKey of 2-[(2,5-dihydroxyphenyl)methoxymethyl]benzene-1,4-diol?
The InChIKey is GVXQAQDFTPTJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O5/c15-11-1-3-13(17)9(5-11)7-19-8-10-6-12(16)2-4-14(10)18/h1-6,15-18H,7-8H2.
What are the key properties of 2-[(2,5-dihydroxyphenyl)methoxymethyl]benzene-1,4-diol?
2-[(2,5-dihydroxyphenyl)methoxymethyl]benzene-1,4-diol has a molecular weight of 262.26 g/mol, XLogP of 2.23, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dihydroxyphenyl)methoxymethyl]benzene-1,4-diol is sourced from PubChem (CID 24770503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).