[4-(4-propan-2-ylphenyl)phenyl]urea

C16H18N2O — CID 11630239

IUPAC[4-(4-propan-2-ylphenyl)phenyl]urea
SMILESCC(C)c1ccc(-c2ccc(NC(N)=O)cc2)cc1
InChIInChI=1S/C16H18N2O/c1-11(2)12-3-5-13(6-4-12)14-7-9-15(10-8-14)18-16(17)19/h3-11H,1-2H3,(H3,17,18,19)
InChIKeyCOFIGWCWVNQCFO-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.97
Rot. Bonds3

About [4-(4-propan-2-ylphenyl)phenyl]urea

[4-(4-propan-2-ylphenyl)phenyl]urea (PubChem CID 11630239) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is [4-(4-propan-2-ylphenyl)phenyl]urea.

Molecular Properties

Compound Name[4-(4-propan-2-ylphenyl)phenyl]urea
PubChem CID11630239
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name[4-(4-propan-2-ylphenyl)phenyl]urea
SMILESCC(C)c1ccc(-c2ccc(NC(N)=O)cc2)cc1
InChIInChI=1S/C16H18N2O/c1-11(2)12-3-5-13(6-4-12)14-7-9-15(10-8-14)18-16(17)19/h3-11H,1-2H3,(H3,17,18,19)
InChIKeyCOFIGWCWVNQCFO-UHFFFAOYSA-N
XLogP3.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-(4-propan-2-ylphenyl)phenyl]urea?
The IUPAC name of [4-(4-propan-2-ylphenyl)phenyl]urea (CID 11630239) is [4-(4-propan-2-ylphenyl)phenyl]urea.
What is the SMILES notation for [4-(4-propan-2-ylphenyl)phenyl]urea?
The canonical SMILES for [4-(4-propan-2-ylphenyl)phenyl]urea is CC(C)c1ccc(-c2ccc(NC(N)=O)cc2)cc1.
What is the InChIKey of [4-(4-propan-2-ylphenyl)phenyl]urea?
The InChIKey is COFIGWCWVNQCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11(2)12-3-5-13(6-4-12)14-7-9-15(10-8-14)18-16(17)19/h3-11H,1-2H3,(H3,17,18,19).
What are the key properties of [4-(4-propan-2-ylphenyl)phenyl]urea?
[4-(4-propan-2-ylphenyl)phenyl]urea has a molecular weight of 254.33 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-propan-2-ylphenyl)phenyl]urea is sourced from PubChem (CID 11630239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).