3-(4-hydroxyphenyl)-1,1-diphenylurea

C19H16N2O2 — CID 705490

IUPAC3-(4-hydroxyphenyl)-1,1-diphenylurea
SMILESO=C(Nc1ccc(O)cc1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16N2O2/c22-18-13-11-15(12-14-18)20-19(23)21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,22H,(H,20,23)
InChIKeyVNZBRKVCWVNEAT-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.76
Rot. Bonds3

About 3-(4-hydroxyphenyl)-1,1-diphenylurea

3-(4-hydroxyphenyl)-1,1-diphenylurea (PubChem CID 705490) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-1,1-diphenylurea.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-1,1-diphenylurea
PubChem CID705490
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name3-(4-hydroxyphenyl)-1,1-diphenylurea
SMILESO=C(Nc1ccc(O)cc1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16N2O2/c22-18-13-11-15(12-14-18)20-19(23)21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,22H,(H,20,23)
InChIKeyVNZBRKVCWVNEAT-UHFFFAOYSA-N
XLogP4.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Hydroxydiphenylamine
CID 31208
N-(4-Hydroxyphenyl)-N'-phenylthiourea
CID 703638
Phenol, 4,4'-iminobis-
CID 74461
1-Cyclohexyl-3-(4-hydroxyphenyl)urea
CID 4051140
4,4'-(Phenylazanediyl)diphenol
CID 23349383
1-Adamantan-1-yl-3-(4-hydroxy-phenyl)-urea
CID 28787671
N-(4-Hydroxyphenyl)urea
CID 197742
4-(N'-phenylureido)phenol
CID 4447317
N-(4-((4-Hydroxyphenyl)azo)phenyl)acetamide
CID 21373
4-(N-cyclohexyl-4-hydroxyanilino)phenol
CID 44580309
1-(4-Hydroxyphenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783213
4-benzyl-N-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 68341722

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-1,1-diphenylurea?
The IUPAC name of 3-(4-hydroxyphenyl)-1,1-diphenylurea (CID 705490) is 3-(4-hydroxyphenyl)-1,1-diphenylurea.
What is the SMILES notation for 3-(4-hydroxyphenyl)-1,1-diphenylurea?
The canonical SMILES for 3-(4-hydroxyphenyl)-1,1-diphenylurea is O=C(Nc1ccc(O)cc1)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(4-hydroxyphenyl)-1,1-diphenylurea?
The InChIKey is VNZBRKVCWVNEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c22-18-13-11-15(12-14-18)20-19(23)21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,22H,(H,20,23).
What are the key properties of 3-(4-hydroxyphenyl)-1,1-diphenylurea?
3-(4-hydroxyphenyl)-1,1-diphenylurea has a molecular weight of 304.35 g/mol, XLogP of 4.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-1,1-diphenylurea is sourced from PubChem (CID 705490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).