1-(4-hydroxy-3,5-diphenylphenyl)-3-(2-phenylcyclopropyl)urea

C28H24N2O2 — CID 10047766

IUPAC1-(4-hydroxy-3,5-diphenylphenyl)-3-(2-phenylcyclopropyl)urea
SMILESO=C(Nc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1)NC1CC1c1ccccc1
InChIInChI=1S/C28H24N2O2/c31-27-24(20-12-6-2-7-13-20)16-22(17-25(27)21-14-8-3-9-15-21)29-28(32)30-26-18-23(26)19-10-4-1-5-11-19/h1-17,23,26,31H,18H2,(H2,29,30,32)
InChIKeyQPNQFOCHXPVSDN-UHFFFAOYSA-N
MW420.51 g/mol
LogP6.40
Rot. Bonds5

About 1-(4-hydroxy-3,5-diphenylphenyl)-3-(2-phenylcyclopropyl)urea

1-(4-hydroxy-3,5-diphenylphenyl)-3-(2-phenylcyclopropyl)urea (PubChem CID 10047766) has the molecular formula C28H24N2O2 and a molecular weight of 420.51 g/mol. Its IUPAC name is 1-(4-hydroxy-3,5-diphenylphenyl)-3-(2-phenylcyclopropyl)urea.

Molecular Properties

Compound Name1-(4-hydroxy-3,5-diphenylphenyl)-3-(2-phenylcyclopropyl)urea
PubChem CID10047766
Molecular FormulaC28H24N2O2
Molecular Weight420.51 g/mol
Exact Mass420.18
IUPAC Name1-(4-hydroxy-3,5-diphenylphenyl)-3-(2-phenylcyclopropyl)urea
SMILESO=C(Nc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1)NC1CC1c1ccccc1
InChIInChI=1S/C28H24N2O2/c31-27-24(20-12-6-2-7-13-20)16-22(17-25(27)21-14-8-3-9-15-21)29-28(32)30-26-18-23(26)19-10-4-1-5-11-19/h1-17,23,26,31H,18H2,(H2,29,30,32)
InChIKeyQPNQFOCHXPVSDN-UHFFFAOYSA-N
XLogP6.40
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 56.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-(4-hydroxy-3,5-diphenylphenyl)-3-(2-phenylcyclopropyl)urea?
The IUPAC name of 1-(4-hydroxy-3,5-diphenylphenyl)-3-(2-phenylcyclopropyl)urea (CID 10047766) is 1-(4-hydroxy-3,5-diphenylphenyl)-3-(2-phenylcyclopropyl)urea.
What is the SMILES notation for 1-(4-hydroxy-3,5-diphenylphenyl)-3-(2-phenylcyclopropyl)urea?
The canonical SMILES for 1-(4-hydroxy-3,5-diphenylphenyl)-3-(2-phenylcyclopropyl)urea is O=C(Nc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1)NC1CC1c1ccccc1.
What is the InChIKey of 1-(4-hydroxy-3,5-diphenylphenyl)-3-(2-phenylcyclopropyl)urea?
The InChIKey is QPNQFOCHXPVSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O2/c31-27-24(20-12-6-2-7-13-20)16-22(17-25(27)21-14-8-3-9-15-21)29-28(32)30-26-18-23(26)19-10-4-1-5-11-19/h1-17,23,26,31H,18H2,(H2,29,30,32).
What are the key properties of 1-(4-hydroxy-3,5-diphenylphenyl)-3-(2-phenylcyclopropyl)urea?
1-(4-hydroxy-3,5-diphenylphenyl)-3-(2-phenylcyclopropyl)urea has a molecular weight of 420.51 g/mol, XLogP of 6.40, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3,5-diphenylphenyl)-3-(2-phenylcyclopropyl)urea is sourced from PubChem (CID 10047766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).