1-(2,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)urea

C13H12N2O4 — CID 154014971

IUPAC1-(2,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)urea
SMILESNC(=O)N(c1ccc(O)cc1)c1cc(O)ccc1O
InChIInChI=1S/C13H12N2O4/c14-13(19)15(8-1-3-9(16)4-2-8)11-7-10(17)5-6-12(11)18/h1-7,16-18H,(H2,14,19)
InChIKeyFHMDGWOPKPNMPN-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.02
Rot. Bonds2

About 1-(2,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)urea

1-(2,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)urea (PubChem CID 154014971) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 1-(2,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)urea.

Molecular Properties

Compound Name1-(2,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)urea
PubChem CID154014971
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name1-(2,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)urea
SMILESNC(=O)N(c1ccc(O)cc1)c1cc(O)ccc1O
InChIInChI=1S/C13H12N2O4/c14-13(19)15(8-1-3-9(16)4-2-8)11-7-10(17)5-6-12(11)18/h1-7,16-18H,(H2,14,19)
InChIKeyFHMDGWOPKPNMPN-UHFFFAOYSA-N
XLogP2.02
TPSA107.02 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)urea?
The IUPAC name of 1-(2,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)urea (CID 154014971) is 1-(2,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)urea.
What is the SMILES notation for 1-(2,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)urea?
The canonical SMILES for 1-(2,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)urea is NC(=O)N(c1ccc(O)cc1)c1cc(O)ccc1O.
What is the InChIKey of 1-(2,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)urea?
The InChIKey is FHMDGWOPKPNMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c14-13(19)15(8-1-3-9(16)4-2-8)11-7-10(17)5-6-12(11)18/h1-7,16-18H,(H2,14,19).
What are the key properties of 1-(2,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)urea?
1-(2,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)urea has a molecular weight of 260.25 g/mol, XLogP of 2.02, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dihydroxyphenyl)-1-(4-hydroxyphenyl)urea is sourced from PubChem (CID 154014971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).