[4-hydroxy-3,5-di(propan-2-yl)phenyl]iminourea

C13H19N3O2 — CID 2877913

IUPAC[4-hydroxy-3,5-di(propan-2-yl)phenyl]iminourea
SMILESCC(C)c1cc(/N=N/C(N)=O)cc(C(C)C)c1O
InChIInChI=1S/C13H19N3O2/c1-7(2)10-5-9(15-16-13(14)18)6-11(8(3)4)12(10)17/h5-8,17H,1-4H3,(H2,14,18)/b16-15+
InChIKeyUSHIBJRFCCFRBX-FOCLMDBBSA-N
MW249.31 g/mol
LogP3.80
Rot. Bonds3

About [4-hydroxy-3,5-di(propan-2-yl)phenyl]iminourea

[4-hydroxy-3,5-di(propan-2-yl)phenyl]iminourea (PubChem CID 2877913) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is [4-hydroxy-3,5-di(propan-2-yl)phenyl]iminourea.

Molecular Properties

Compound Name[4-hydroxy-3,5-di(propan-2-yl)phenyl]iminourea
PubChem CID2877913
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name[4-hydroxy-3,5-di(propan-2-yl)phenyl]iminourea
SMILESCC(C)c1cc(/N=N/C(N)=O)cc(C(C)C)c1O
InChIInChI=1S/C13H19N3O2/c1-7(2)10-5-9(15-16-13(14)18)6-11(8(3)4)12(10)17/h5-8,17H,1-4H3,(H2,14,18)/b16-15+
InChIKeyUSHIBJRFCCFRBX-FOCLMDBBSA-N
XLogP3.80
TPSA88.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-3,5-di(propan-2-yl)phenyl]iminourea?
The IUPAC name of [4-hydroxy-3,5-di(propan-2-yl)phenyl]iminourea (CID 2877913) is [4-hydroxy-3,5-di(propan-2-yl)phenyl]iminourea.
What is the SMILES notation for [4-hydroxy-3,5-di(propan-2-yl)phenyl]iminourea?
The canonical SMILES for [4-hydroxy-3,5-di(propan-2-yl)phenyl]iminourea is CC(C)c1cc(/N=N/C(N)=O)cc(C(C)C)c1O.
What is the InChIKey of [4-hydroxy-3,5-di(propan-2-yl)phenyl]iminourea?
The InChIKey is USHIBJRFCCFRBX-FOCLMDBBSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-7(2)10-5-9(15-16-13(14)18)6-11(8(3)4)12(10)17/h5-8,17H,1-4H3,(H2,14,18)/b16-15+.
What are the key properties of [4-hydroxy-3,5-di(propan-2-yl)phenyl]iminourea?
[4-hydroxy-3,5-di(propan-2-yl)phenyl]iminourea has a molecular weight of 249.31 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-3,5-di(propan-2-yl)phenyl]iminourea is sourced from PubChem (CID 2877913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).