benzene-1,4-diol;formaldehyde

C7H8O3 — CID 3082254

IUPACbenzene-1,4-diol;formaldehyde
SMILESC=O.Oc1ccc(O)cc1
InChIInChI=1S/C6H6O2.CH2O/c7-5-1-2-6(8)4-3-5;1-2/h1-4,7-8H;1H2
InChIKeyUREVLELSVZQJTM-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.91
Rot. Bonds

About benzene-1,4-diol;formaldehyde

benzene-1,4-diol;formaldehyde (PubChem CID 3082254) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is benzene-1,4-diol;formaldehyde.

Molecular Properties

Compound Namebenzene-1,4-diol;formaldehyde
PubChem CID3082254
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Namebenzene-1,4-diol;formaldehyde
SMILESC=O.Oc1ccc(O)cc1
InChIInChI=1S/C6H6O2.CH2O/c7-5-1-2-6(8)4-3-5;1-2/h1-4,7-8H;1H2
InChIKeyUREVLELSVZQJTM-UHFFFAOYSA-N
XLogP0.91
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.91
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 benzene-1,4-diol;formaldehyde?
The IUPAC name of benzene-1,4-diol;formaldehyde (CID 3082254) is benzene-1,4-diol;formaldehyde.
What is the SMILES notation for benzene-1,4-diol;formaldehyde?
The canonical SMILES for benzene-1,4-diol;formaldehyde is C=O.Oc1ccc(O)cc1.
What is the InChIKey of benzene-1,4-diol;formaldehyde?
The InChIKey is UREVLELSVZQJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.CH2O/c7-5-1-2-6(8)4-3-5;1-2/h1-4,7-8H;1H2.
What are the key properties of benzene-1,4-diol;formaldehyde?
benzene-1,4-diol;formaldehyde has a molecular weight of 140.14 g/mol, XLogP of 0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diol;formaldehyde is sourced from PubChem (CID 3082254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).