(4-methylphenyl)urea

C8H10N2O — CID 12148

IUPAC(4-methylphenyl)urea
SMILESCc1ccc(NC(N)=O)cc1
InChIInChI=1S/C8H10N2O/c1-6-2-4-7(5-3-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
InChIKeyDMSHKWHLXNDUST-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.49
Rot. Bonds1

About (4-methylphenyl)urea

(4-methylphenyl)urea (PubChem CID 12148) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is (4-methylphenyl)urea.

Molecular Properties

Compound Name(4-methylphenyl)urea
PubChem CID12148
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name(4-methylphenyl)urea
SMILESCc1ccc(NC(N)=O)cc1
InChIInChI=1S/C8H10N2O/c1-6-2-4-7(5-3-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
InChIKeyDMSHKWHLXNDUST-UHFFFAOYSA-N
XLogP1.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)urea?
The IUPAC name of (4-methylphenyl)urea (CID 12148) is (4-methylphenyl)urea.
What is the SMILES notation for (4-methylphenyl)urea?
The canonical SMILES for (4-methylphenyl)urea is Cc1ccc(NC(N)=O)cc1.
What is the InChIKey of (4-methylphenyl)urea?
The InChIKey is DMSHKWHLXNDUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-6-2-4-7(5-3-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11).
What are the key properties of (4-methylphenyl)urea?
(4-methylphenyl)urea has a molecular weight of 150.18 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)urea is sourced from PubChem (CID 12148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).