1-[4-[(2-chloro-4-methoxyphenyl)methoxy]phenyl]-1-methylurea

C₁₆H₁₇ClN₂O₃ — CID 71859156

About 1-[4-[(2-chloro-4-methoxyphenyl)methoxy]phenyl]-1-methylurea

1-[4-[(2-chloro-4-methoxyphenyl)methoxy]phenyl]-1-methylurea (PubChem CID 71859156) has the molecular formula C₁₆H₁₇ClN₂O₃ and a molecular weight of 320.78 g/mol. Its IUPAC name is 1-[4-[(2-chloro-4-methoxyphenyl)methoxy]phenyl]-1-methylurea.

Molecular Properties

• Compound Name: 1-[4-[(2-chloro-4-methoxyphenyl)methoxy]phenyl]-1-methylurea
• PubChem CID: 71859156
• Molecular Formula: C₁₆H₁₇ClN₂O₃
• Molecular Weight: 320.78 g/mol
• Exact Mass: 320.09
• IUPAC Name: 1-[4-[(2-chloro-4-methoxyphenyl)methoxy]phenyl]-1-methylurea
• SMILES: COc1ccc(COc2ccc(N(C)C(N)=O)cc2)c(Cl)c1
• InChI: InChI=1S/C16H17ClN2O3/c1-19(16(18)20)12-4-7-13(8-5-12)22-10-11-3-6-14(21-2)9-15(11)17/h3-9H,10H2,1-2H3,(H2,18,20)
• InChIKey: RFKQNCLATNYYMW-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 64.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	320.78
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chloro-4-methoxyphenyl)methoxy]phenyl]-1-methylurea?

The IUPAC name of 1-[4-[(2-chloro-4-methoxyphenyl)methoxy]phenyl]-1-methylurea (CID 71859156) is 1-[4-[(2-chloro-4-methoxyphenyl)methoxy]phenyl]-1-methylurea.

What is the SMILES notation for 1-[4-[(2-chloro-4-methoxyphenyl)methoxy]phenyl]-1-methylurea?

The canonical SMILES for 1-[4-[(2-chloro-4-methoxyphenyl)methoxy]phenyl]-1-methylurea is COc1ccc(COc2ccc(N(C)C(N)=O)cc2)c(Cl)c1.

What is the InChIKey of 1-[4-[(2-chloro-4-methoxyphenyl)methoxy]phenyl]-1-methylurea?

The InChIKey is RFKQNCLATNYYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-19(16(18)20)12-4-7-13(8-5-12)22-10-11-3-6-14(21-2)9-15(11)17/h3-9H,10H2,1-2H3,(H2,18,20).

What are the key properties of 1-[4-[(2-chloro-4-methoxyphenyl)methoxy]phenyl]-1-methylurea?

1-[4-[(2-chloro-4-methoxyphenyl)methoxy]phenyl]-1-methylurea has a molecular weight of 320.78 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(2-chloro-4-methoxyphenyl)methoxy]phenyl]-1-methylurea is sourced from PubChem (CID 71859156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 71859156 — identifiers, structure, computed properties (public domain)

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