(3-methylphenyl)urea

C8H10N2O — CID 6142

IUPAC(3-methylphenyl)urea
SMILESCc1cccc(NC(N)=O)c1
InChIInChI=1S/C8H10N2O/c1-6-3-2-4-7(5-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
InChIKeyUVQVMNIYFXZXCI-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.49
Rot. Bonds1

About (3-methylphenyl)urea

(3-methylphenyl)urea (PubChem CID 6142) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is (3-methylphenyl)urea.

Molecular Properties

Compound Name(3-methylphenyl)urea
PubChem CID6142
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name(3-methylphenyl)urea
SMILESCc1cccc(NC(N)=O)c1
InChIInChI=1S/C8H10N2O/c1-6-3-2-4-7(5-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
InChIKeyUVQVMNIYFXZXCI-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

Analyze (3-methylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)urea?
The IUPAC name of (3-methylphenyl)urea (CID 6142) is (3-methylphenyl)urea.
What is the SMILES notation for (3-methylphenyl)urea?
The canonical SMILES for (3-methylphenyl)urea is Cc1cccc(NC(N)=O)c1.
What is the InChIKey of (3-methylphenyl)urea?
The InChIKey is UVQVMNIYFXZXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-6-3-2-4-7(5-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11).
What are the key properties of (3-methylphenyl)urea?
(3-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 (3-methylphenyl)urea is sourced from PubChem (CID 6142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).