(3,5-ditert-butyl-4-hydroxyphenyl)iminourea

C15H23N3O2 — CID 4637687

IUPAC(3,5-ditert-butyl-4-hydroxyphenyl)iminourea
SMILESCC(C)(C)c1cc(/N=N/C(N)=O)cc(C(C)(C)C)c1O
InChIInChI=1S/C15H23N3O2/c1-14(2,3)10-7-9(17-18-13(16)20)8-11(12(10)19)15(4,5)6/h7-8,19H,1-6H3,(H2,16,20)/b18-17+
InChIKeyGNZGGEZOYUNMLY-ISLYRVAYSA-N
MW277.37 g/mol
LogP4.15
Rot. Bonds1

About (3,5-ditert-butyl-4-hydroxyphenyl)iminourea

(3,5-ditert-butyl-4-hydroxyphenyl)iminourea (PubChem CID 4637687) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (3,5-ditert-butyl-4-hydroxyphenyl)iminourea.

Molecular Properties

Compound Name(3,5-ditert-butyl-4-hydroxyphenyl)iminourea
PubChem CID4637687
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(3,5-ditert-butyl-4-hydroxyphenyl)iminourea
SMILESCC(C)(C)c1cc(/N=N/C(N)=O)cc(C(C)(C)C)c1O
InChIInChI=1S/C15H23N3O2/c1-14(2,3)10-7-9(17-18-13(16)20)8-11(12(10)19)15(4,5)6/h7-8,19H,1-6H3,(H2,16,20)/b18-17+
InChIKeyGNZGGEZOYUNMLY-ISLYRVAYSA-N
XLogP4.15
TPSA88.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.15
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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Related Compounds

bis(carbamothioic S-acid);2,6-ditert-butyl-4-methylphenol
CID 88528140
3-amino-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide
CID 170875716
2,6-ditert-butyl-4-[(6-chloropyridazin-3-yl)diazenyl]phenol
CID 135568855
1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone
CID 616296
1-(3,5-ditert-butyl-4-hydroxyphenyl)propan-2-one
CID 20708554
3,5-ditert-butyl-N',4-dihydroxybenzenecarboximidamide
CID 135699520
lithium 3,5-ditert-butyl-4-hydroxybenzoate
CID 139788661
CID 153384878
CID 153384878
N'-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methylideneethanimidamide
CID 123519720
2-amino-2-(hydroxymethyl)propane-1,3-diol;2,6-ditert-butyl-4-isocyanatophenol
CID 87766135
2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]prop-2-enamide
CID 87833588
2,6-ditert-butyl-4-(1-hydroxyethenyl)phenol
CID 143396007

Frequently Asked Questions

What is the IUPAC name of (3,5-ditert-butyl-4-hydroxyphenyl)iminourea?
The IUPAC name of (3,5-ditert-butyl-4-hydroxyphenyl)iminourea (CID 4637687) is (3,5-ditert-butyl-4-hydroxyphenyl)iminourea.
What is the SMILES notation for (3,5-ditert-butyl-4-hydroxyphenyl)iminourea?
The canonical SMILES for (3,5-ditert-butyl-4-hydroxyphenyl)iminourea is CC(C)(C)c1cc(/N=N/C(N)=O)cc(C(C)(C)C)c1O.
What is the InChIKey of (3,5-ditert-butyl-4-hydroxyphenyl)iminourea?
The InChIKey is GNZGGEZOYUNMLY-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-14(2,3)10-7-9(17-18-13(16)20)8-11(12(10)19)15(4,5)6/h7-8,19H,1-6H3,(H2,16,20)/b18-17+.
What are the key properties of (3,5-ditert-butyl-4-hydroxyphenyl)iminourea?
(3,5-ditert-butyl-4-hydroxyphenyl)iminourea has a molecular weight of 277.37 g/mol, XLogP of 4.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-ditert-butyl-4-hydroxyphenyl)iminourea is sourced from PubChem (CID 4637687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).