1-(2-methoxy-5-methylphenyl)-3-phenylurea

C15H16N2O2 — CID 873654

IUPAC1-(2-methoxy-5-methylphenyl)-3-phenylurea
SMILESCOc1ccc(C)cc1NC(=O)Nc1ccccc1
InChIInChI=1S/C15H16N2O2/c1-11-8-9-14(19-2)13(10-11)17-15(18)16-12-6-4-3-5-7-12/h3-10H,1-2H3,(H2,16,17,18)
InChIKeyZXSDEMMHOBIDMY-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.65
Rot. Bonds3

About 1-(2-methoxy-5-methylphenyl)-3-phenylurea

1-(2-methoxy-5-methylphenyl)-3-phenylurea (PubChem CID 873654) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-phenylurea.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-phenylurea
PubChem CID873654
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-phenylurea
SMILESCOc1ccc(C)cc1NC(=O)Nc1ccccc1
InChIInChI=1S/C15H16N2O2/c1-11-8-9-14(19-2)13(10-11)17-15(18)16-12-6-4-3-5-7-12/h3-10H,1-2H3,(H2,16,17,18)
InChIKeyZXSDEMMHOBIDMY-UHFFFAOYSA-N
XLogP3.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-phenylurea?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-phenylurea (CID 873654) is 1-(2-methoxy-5-methylphenyl)-3-phenylurea.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-phenylurea?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-phenylurea is COc1ccc(C)cc1NC(=O)Nc1ccccc1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-phenylurea?
The InChIKey is ZXSDEMMHOBIDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11-8-9-14(19-2)13(10-11)17-15(18)16-12-6-4-3-5-7-12/h3-10H,1-2H3,(H2,16,17,18).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-phenylurea?
1-(2-methoxy-5-methylphenyl)-3-phenylurea has a molecular weight of 256.31 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3-phenylurea is sourced from PubChem (CID 873654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).