benzene-1,4-diol;carbamic acid

C8H12N2O6 — CID 158152403

IUPACbenzene-1,4-diol;carbamic acid
SMILESNC(=O)O.NC(=O)O.Oc1ccc(O)cc1
InChIInChI=1S/C6H6O2.2CH3NO2/c7-5-1-2-6(8)4-3-5;2*2-1(3)4/h1-4,7-8H;2*2H2,(H,3,4)
InChIKeyFVGSIEARKPZWHL-UHFFFAOYSA-N
MW232.19 g/mol
LogP0.34
Rot. Bonds

About benzene-1,4-diol;carbamic acid

benzene-1,4-diol;carbamic acid (PubChem CID 158152403) has the molecular formula C8H12N2O6 and a molecular weight of 232.19 g/mol. Its IUPAC name is benzene-1,4-diol;carbamic acid.

Molecular Properties

Compound Namebenzene-1,4-diol;carbamic acid
PubChem CID158152403
Molecular FormulaC8H12N2O6
Molecular Weight232.19 g/mol
Exact Mass232.07
IUPAC Namebenzene-1,4-diol;carbamic acid
SMILESNC(=O)O.NC(=O)O.Oc1ccc(O)cc1
InChIInChI=1S/C6H6O2.2CH3NO2/c7-5-1-2-6(8)4-3-5;2*2-1(3)4/h1-4,7-8H;2*2H2,(H,3,4)
InChIKeyFVGSIEARKPZWHL-UHFFFAOYSA-N
XLogP0.34
TPSA167.10 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.19
LogP ≤ 50.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

carbamic acid;4-fluorophenol
CID 67037635
bis(benzene-1,4-diol);carbonic acid
CID 68999082
benzene-1,4-diol;bis(carbonochloridic acid)
CID 88626598
oxamide;phenol
CID 21277500
acetamide;4-hydroxybenzoic acid
CID 67150268
formaldehyde;molybdenum;phenol;urea
CID 174825224
bis(benzene-1,4-diol);carbonic acid;propane
CID 70469220
4-hydroxy(11C)benzoic acid
CID 11275035
4-hydroxybenzoic acid;decahydrate
CID 140502755
4-hydroxybenzoic acid;silver
CID 88784168
4-hydroxybenzoic acid;tetrahydrate
CID 158154319
benzene-1,4-diol;1,3-diaminourea
CID 19387491

Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diol;carbamic acid?
The IUPAC name of benzene-1,4-diol;carbamic acid (CID 158152403) is benzene-1,4-diol;carbamic acid.
What is the SMILES notation for benzene-1,4-diol;carbamic acid?
The canonical SMILES for benzene-1,4-diol;carbamic acid is NC(=O)O.NC(=O)O.Oc1ccc(O)cc1.
What is the InChIKey of benzene-1,4-diol;carbamic acid?
The InChIKey is FVGSIEARKPZWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.2CH3NO2/c7-5-1-2-6(8)4-3-5;2*2-1(3)4/h1-4,7-8H;2*2H2,(H,3,4).
What are the key properties of benzene-1,4-diol;carbamic acid?
benzene-1,4-diol;carbamic acid has a molecular weight of 232.19 g/mol, XLogP of 0.34, 0 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diol;carbamic acid is sourced from PubChem (CID 158152403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).