1-(2,4-dihydroxyphenyl)-3-(2,5-dihydroxyphenyl)urea

C13H12N2O5 — CID 131978468

IUPAC1-(2,4-dihydroxyphenyl)-3-(2,5-dihydroxyphenyl)urea
SMILESO=C(Nc1ccc(O)cc1O)Nc1cc(O)ccc1O
InChIInChI=1S/C13H12N2O5/c16-7-2-4-11(18)10(5-7)15-13(20)14-9-3-1-8(17)6-12(9)19/h1-6,16-19H,(H2,14,15,20)
InChIKeyRNCRFGWAMPLACX-UHFFFAOYSA-N
MW276.25 g/mol
LogP2.15
Rot. Bonds2

About 1-(2,4-dihydroxyphenyl)-3-(2,5-dihydroxyphenyl)urea

1-(2,4-dihydroxyphenyl)-3-(2,5-dihydroxyphenyl)urea (PubChem CID 131978468) has the molecular formula C13H12N2O5 and a molecular weight of 276.25 g/mol. Its IUPAC name is 1-(2,4-dihydroxyphenyl)-3-(2,5-dihydroxyphenyl)urea.

Molecular Properties

Compound Name1-(2,4-dihydroxyphenyl)-3-(2,5-dihydroxyphenyl)urea
PubChem CID131978468
Molecular FormulaC13H12N2O5
Molecular Weight276.25 g/mol
Exact Mass276.07
IUPAC Name1-(2,4-dihydroxyphenyl)-3-(2,5-dihydroxyphenyl)urea
SMILESO=C(Nc1ccc(O)cc1O)Nc1cc(O)ccc1O
InChIInChI=1S/C13H12N2O5/c16-7-2-4-11(18)10(5-7)15-13(20)14-9-3-1-8(17)6-12(9)19/h1-6,16-19H,(H2,14,15,20)
InChIKeyRNCRFGWAMPLACX-UHFFFAOYSA-N
XLogP2.15
TPSA122.05 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.25
LogP ≤ 52.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydroxyphenyl)-3-(2,5-dihydroxyphenyl)urea?
The IUPAC name of 1-(2,4-dihydroxyphenyl)-3-(2,5-dihydroxyphenyl)urea (CID 131978468) is 1-(2,4-dihydroxyphenyl)-3-(2,5-dihydroxyphenyl)urea.
What is the SMILES notation for 1-(2,4-dihydroxyphenyl)-3-(2,5-dihydroxyphenyl)urea?
The canonical SMILES for 1-(2,4-dihydroxyphenyl)-3-(2,5-dihydroxyphenyl)urea is O=C(Nc1ccc(O)cc1O)Nc1cc(O)ccc1O.
What is the InChIKey of 1-(2,4-dihydroxyphenyl)-3-(2,5-dihydroxyphenyl)urea?
The InChIKey is RNCRFGWAMPLACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5/c16-7-2-4-11(18)10(5-7)15-13(20)14-9-3-1-8(17)6-12(9)19/h1-6,16-19H,(H2,14,15,20).
What are the key properties of 1-(2,4-dihydroxyphenyl)-3-(2,5-dihydroxyphenyl)urea?
1-(2,4-dihydroxyphenyl)-3-(2,5-dihydroxyphenyl)urea has a molecular weight of 276.25 g/mol, XLogP of 2.15, 2 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydroxyphenyl)-3-(2,5-dihydroxyphenyl)urea is sourced from PubChem (CID 131978468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).